5-Nitro-2-(phenylthio)benzoic acid
5-nitro-2-phenylsulfanylbenzoic acid
Also Known As: 5-Nitro-2-(phenylthio)benzoic acid|5-Nitro-2-phenylsulfanyl-benzoic acid|5-nitro-2-phenylsulfanylbenzoic acid|Oprea1_530411|5-nitro-2-(phenylsulfanyl)benzoic acid|benzoic acid, 5-nitro-2-(phenylthio)-|5-nitro-2-phenylthiobenzoic acid|5-Nitro-2-(phenylthio)benzoicacid|5-nitro-2-phenylsulfanyl-benzoicacid|AB4034|Benzoic acid,5-nitro-2-(phenylthio)-|AE-641/00133002|SR-01000533641-1
CAS: 7252-10-0
| Molecular Formula | C13H9NO4S |
|---|---|
| Molecular Weight | 275.02524 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.02524 |
| Monoisotopic Mass | 275.02524 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 7252-10-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | MBGUREXFPRWNKS-UHFFFAOYSA-N |
Product Overview
5-Nitro-2-(phenylthio)benzoic acid (CAS 7252-10-0), with molecular formula C13H9NO4S and molecular weight 275.02524 g/mol. IUPAC: 5-nitro-2-phenylsulfanylbenzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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