2-(3-chloro-4-methylanilino)-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
2-(3-chloro-4-methylanilino)-3,5-dinitrobenzoic acid
2-(3-chloro-4-methylanilino)-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | 8008-4567 |
| Compound Name: | 2-(3-chloro-4-methylanilino)-3,5-dinitrobenzoic acid |
| Molecular Weight: | 351.7 |
| Molecular Formula: | C14 H10 Cl N3 O6 |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2113 |
| logD: | -1.2762 |
| logSw: | -4.3662 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.626 |
| InChI Key: | JVXMGFUCFCSEMI-UHFFFAOYSA-N |