2-[(4-chlorophenyl)sulfanyl]-5-nitrobenzoic acid
Chemical Structure Depiction of
2-[(4-chlorophenyl)sulfanyl]-5-nitrobenzoic acid
2-[(4-chlorophenyl)sulfanyl]-5-nitrobenzoic acid
Compound characteristics
| Compound ID: | 8012-3101 |
| Compound Name: | 2-[(4-chlorophenyl)sulfanyl]-5-nitrobenzoic acid |
| Molecular Weight: | 309.73 |
| Molecular Formula: | C13 H8 Cl N O4 S |
| Smiles: | c1cc(c(cc1[N+]([O-])=O)C(O)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4776 |
| logD: | -0.2356 |
| logSw: | -4.667 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.757 |
| InChI Key: | BVVJQOLVSLSVQN-UHFFFAOYSA-N |