2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole
2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole structure
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Common Name | 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole | ||
|---|---|---|---|---|
| CAS Number | 962-25-4 | Molecular Weight | 274.65900 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C13H7ClN2O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole (CAS number: 962-25-4, molecular formula: C13H7ClN2O3, molecular weight: 274.65900) is a chemical substance for research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C13H7ClN2O3 |
|---|---|
| Molecular Weight | 274.65900 |
| Exact Mass | 274.01500 |
| PSA | 71.85000 |
| LogP | 4.57960 |
| InChIKey | ZSRRXNGHCTVYTG-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~86%
2-(4-chlorophen... CAS#:962-25-4 |
| Literature: Vosooghi, Mohsen; Arshadi, Hossein; Saeedi, Mina; Mahdavi, Mohammad; Jafapour, Farnaz; Shafiee, Abbas; Foroumadi, Alireza Journal of Fluorine Chemistry, 2014 , vol. 161, p. 83 - 86 |
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~94%
2-(4-chlorophen... CAS#:962-25-4 |
| Literature: Chen, Yong-Xing; Qian, Ling-Feng; Zhang, Wei; Han, Bing Angewandte Chemie - International Edition, 2008 , vol. 47, # 48 p. 9330 - 9333 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antifungal activity against Candida albicans by serial dilution method
Source: ChEMBL
Target: Candida albicans
External Id: CHEMBL892428
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-(4-chloro-phenyl)-5-nitro-benzooxazole |
| 2-(4-Chlor-phenyl)-5-nitro-benzoxazol |
| Benzoxazole,2-(4-chlorophenyl)-5-nitro |
| 2-(4'-chlorophenyl)-5-nitrobenzoxazole |
| 5-Nitro-2-(4-chlor-phenyl)-benzoxazol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole? |
| A: CAS number of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole is 962-25-4. |
| Q: What are the upstream materials of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole? |
| A: Related upstream materials(CAS) of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole: 369-36-8;122-01-0;104-88-1;99-57-0. |
| Q: What is the SMILES notation of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole? |
| A: SMILES notation of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole is O=[N+]([O-])c1ccc2oc(-c3ccc(Cl)cc3)nc2c1. |
| Q: What is the molecular weight of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole? |
| A: Molecular weight of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole is 274.65900. |
| Q: What is the English name of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole? |
| A: The English name of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole is 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole. |
| Q: What is the polar surface area (PSA) of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole? |
| A: Polar surface area (PSA) of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole is 71.85000. |
| Q: What is the molecular formula of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole? |
| A: Molecular formula of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole is C13H7ClN2O3. |
| Q: What is the LogP of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole? |
| A: LogP of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole is 4.57960. |
| Q: What is the InChIKey of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole? |
| A: InChIKey of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole is ZSRRXNGHCTVYTG-UHFFFAOYSA-N. |
| Q: What English synonyms does 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole have? |
| A: English synonyms of 2-(4-chlorophenyl)-5-nitro-1,3-benzoxazole: 2-(4-chloro-phenyl)-5-nitro-benzooxazole, 2-(4-Chlor-phenyl)-5-nitro-benzoxazol, Benzoxazole,2-(4-chlorophenyl)-5-nitro, 2-(4'-chlorophenyl)-5-nitrobenzoxazole, 5-Nitro-2-(4-chlor-phenyl)-benzoxazol. |