5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
![5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid Structure](https://image.chemsrc.com/caspic/144/830331-52-7.png)
5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid structure
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Common Name | 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 830331-52-7 | Molecular Weight | 295.74100 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C13H10ClNO3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C13H10ClNO3S |
|---|---|
| Molecular Weight | 295.74100 |
| Exact Mass | 295.00700 |
| PSA | 94.64000 |
| LogP | 3.42060 |
| InChIKey | RCYXVQVTMWWRLK-UHFFFAOYSA-N |
| SMILES | O=C(NCc1ccc(C(=O)O)s1)c1ccc(Cl)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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5-[[(4-chlorobe... CAS#:830331-52-7 |
| Literature: Rueckle, Thomas; Biamonte, Marco; Grippi-Vallotton, Tania; Arkinstall, Steve; Cambet, Yves; Camps, Montserrat; Chabert, Christian; Church, Dennis J.; Halazy, Serge; Jiang, Xuliang; Martinou, Isabelle; Nichols, Anthony; Sauer, Wolfgang; Gotteland, Jean-Pierre Journal of Medicinal Chemistry, 2004 , vol. 47, # 27 p. 6921 - 6934 |
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5-[[(4-chlorobe... CAS#:830331-52-7 |
| Literature: Rueckle, Thomas; Biamonte, Marco; Grippi-Vallotton, Tania; Arkinstall, Steve; Cambet, Yves; Camps, Montserrat; Chabert, Christian; Church, Dennis J.; Halazy, Serge; Jiang, Xuliang; Martinou, Isabelle; Nichols, Anthony; Sauer, Wolfgang; Gotteland, Jean-Pierre Journal of Medicinal Chemistry, 2004 , vol. 47, # 27 p. 6921 - 6934 |
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5-[[(4-chlorobe... CAS#:830331-52-7 |
| Literature: Rueckle, Thomas; Biamonte, Marco; Grippi-Vallotton, Tania; Arkinstall, Steve; Cambet, Yves; Camps, Montserrat; Chabert, Christian; Church, Dennis J.; Halazy, Serge; Jiang, Xuliang; Martinou, Isabelle; Nichols, Anthony; Sauer, Wolfgang; Gotteland, Jean-Pierre Journal of Medicinal Chemistry, 2004 , vol. 47, # 27 p. 6921 - 6934 |
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~%
5-[[(4-chlorobe... CAS#:830331-52-7 |
| Literature: Rueckle, Thomas; Biamonte, Marco; Grippi-Vallotton, Tania; Arkinstall, Steve; Cambet, Yves; Camps, Montserrat; Chabert, Christian; Church, Dennis J.; Halazy, Serge; Jiang, Xuliang; Martinou, Isabelle; Nichols, Anthony; Sauer, Wolfgang; Gotteland, Jean-Pierre Journal of Medicinal Chemistry, 2004 , vol. 47, # 27 p. 6921 - 6934 |
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~%
5-[[(4-chlorobe... CAS#:830331-52-7 |
| Literature: Rueckle, Thomas; Biamonte, Marco; Grippi-Vallotton, Tania; Arkinstall, Steve; Cambet, Yves; Camps, Montserrat; Chabert, Christian; Church, Dennis J.; Halazy, Serge; Jiang, Xuliang; Martinou, Isabelle; Nichols, Anthony; Sauer, Wolfgang; Gotteland, Jean-Pierre Journal of Medicinal Chemistry, 2004 , vol. 47, # 27 p. 6921 - 6934 |
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~%
5-[[(4-chlorobe... CAS#:830331-52-7 |
| Literature: Rueckle, Thomas; Biamonte, Marco; Grippi-Vallotton, Tania; Arkinstall, Steve; Cambet, Yves; Camps, Montserrat; Chabert, Christian; Church, Dennis J.; Halazy, Serge; Jiang, Xuliang; Martinou, Isabelle; Nichols, Anthony; Sauer, Wolfgang; Gotteland, Jean-Pierre Journal of Medicinal Chemistry, 2004 , vol. 47, # 27 p. 6921 - 6934 |
![5-[(4-Chloro-benzoylamino)-methyl]-thiophene-2-carboxylic acid methyl ester structure](https://image.chemsrc.com/caspic/182/830331-51-6.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid? |
| A: SMILES notation of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid is O=C(NCc1ccc(C(=O)O)s1)c1ccc(Cl)cc1. |
| Q: What is the InChIKey of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid? |
| A: InChIKey of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid is RCYXVQVTMWWRLK-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid? |
| A: Molecular formula of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid is C13H10ClNO3S. |
| Q: What is the CAS number of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid? |
| A: CAS number of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid is 830331-52-7. |
| Q: What is the molecular weight of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid? |
| A: Molecular weight of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid is 295.74100. |
| Q: What is the English name of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid? |
| A: The English name of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid is 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid. |
| Q: What is the polar surface area (PSA) of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid? |
| A: Polar surface area (PSA) of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid is 94.64000. |
| Q: What are the upstream materials of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid? |
| A: Related upstream materials(CAS) of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid: 1918-79-2;19432-69-0;108499-32-7;75985-18-1. |
| Q: What is the Chinese name of 830331-52-7? |
| A: Chinese name of 830331-52-7 is 830331-52-7. |
| Q: What is the LogP of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid? |
| A: LogP of 5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid is 3.42060. |