4-(Cyclopentylthio)-3-nitrobenzoic acid
4-cyclopentylsulfanyl-3-nitrobenzoic acid
Also Known As: 4-(cyclopentylthio)-3-nitrobenzoic acid|4-(cyclopentylsulfanyl)-3-nitrobenzoic acid|4-cyclopentylsulfanyl-3-nitrobenzoic acid|4-cyclopentylthio-3-nitrobenzoic acid|4-(cyclopentylthio)-3-nitrobenzoicacid|benzoic acid, 4-(cyclopentylthio)-3-nitro-|4-cyclopentylsulfanyl-3-nitro-benzoic acid|A4071/0173424
CAS: 893764-79-9
| Molecular Formula | C12H13NO4S |
|---|---|
| Molecular Weight | 267.05652 g/mol |
| LogP | 3.3277 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.05652 |
| Monoisotopic Mass | 267.05652 |
| Heavy Atoms | 18 |
| Complexity | 482.9658 |
Chemical Identifiers
| CAS Number | 893764-79-9 |
|---|---|
| SMILES | C1CCC(C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
4-(Cyclopentylthio)-3-nitrobenzoic acid (CAS 893764-79-9), with molecular formula C12H13NO4S and molecular weight 267.05652 g/mol. IUPAC: 4-cyclopentylsulfanyl-3-nitrobenzoic 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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