methyl 4-(3-bromopropanoylamino)-3-methylbenzoate
methyl 4-(3-bromopropanoylamino)-3-methylbenzoate structure
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Common Name | methyl 4-(3-bromopropanoylamino)-3-methylbenzoate | ||
|---|---|---|---|---|
| CAS Number | 88072-10-0 | Molecular Weight | 300.14800 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H14BrNO3 | 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 | methyl 4-(3-bromopropanoylamino)-3-methylbenzoate |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C12H14BrNO3 |
|---|---|
| Molecular Weight | 300.14800 |
| Exact Mass | 299.01600 |
| PSA | 55.40000 |
| LogP | 2.57810 |
| InChIKey | OJAOWLRRLRMSHQ-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(NC(=O)CCBr)c(C)c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~49%
methyl 4-(3-bro... CAS#:88072-10-0 |
| Literature: Zrihen; Labia; Wakselman European Journal of Medicinal Chemistry, 1983 , vol. 18, # 4 p. 307 - 314 |
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~%
methyl 4-(3-bro... CAS#:88072-10-0 |
| Literature: Zrihen; Labia; Wakselman European Journal of Medicinal Chemistry, 1983 , vol. 18, # 4 p. 307 - 314 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 2 | |
CAS#:88072-21-3
CAS#:88089-56-9This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate? |
| A: Related upstream materials(CAS) of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate: 18595-14-7;15486-96-1;24078-21-5. |
| Q: What is the LogP of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate? |
| A: LogP of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate is 2.57810. |
| Q: What is the molecular formula of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate? |
| A: Molecular formula of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate is C12H14BrNO3. |
| Q: What is the InChIKey of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate? |
| A: InChIKey of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate is OJAOWLRRLRMSHQ-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate? |
| A: SMILES notation of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate is COC(=O)c1ccc(NC(=O)CCBr)c(C)c1. |
| Q: What is the polar surface area (PSA) of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate? |
| A: Polar surface area (PSA) of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate is 55.40000. |
| Q: What is the English name of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate? |
| A: The English name of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate is methyl 4-(3-bromopropanoylamino)-3-methylbenzoate. |
| Q: What are the downstream products of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate? |
| A: Related downstream products(CAS) of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate: 88072-21-3;88089-56-9. |
| Q: What is the CAS number of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate? |
| A: CAS number of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate is 88072-10-0. |
| Q: What is the molecular weight of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate? |
| A: Molecular weight of methyl 4-(3-bromopropanoylamino)-3-methylbenzoate is 300.14800. |