3-{[(4-bromo-3-nitrophenyl)methylidene]amino}-1H-1,2,4-triazole-5-carboxylic acid
Chemical Structure Depiction of
3-{[(4-bromo-3-nitrophenyl)methylidene]amino}-1H-1,2,4-triazole-5-carboxylic acid
3-{[(4-bromo-3-nitrophenyl)methylidene]amino}-1H-1,2,4-triazole-5-carboxylic acid
Compound characteristics
| Compound ID: | 8004-5876 |
| Compound Name: | 3-{[(4-bromo-3-nitrophenyl)methylidene]amino}-1H-1,2,4-triazole-5-carboxylic acid |
| Molecular Weight: | 340.09 |
| Molecular Formula: | C10 H6 Br N5 O4 |
| Smiles: | C(\c1ccc(c(c1)[N+]([O-])=O)[Br])=N/c1nc(C(O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.666 |
| logD: | -3.5338 |
| logSw: | -2.2912 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.045 |
| InChI Key: | DHFLDNSYFYWJHQ-UHFFFAOYSA-N |