4-bromo-1-methyl-3-nitro-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
4-bromo-1-methyl-3-nitro-1H-pyrazole-5-carboxylic acid
4-bromo-1-methyl-3-nitro-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y507-0850 |
| Compound Name: | 4-bromo-1-methyl-3-nitro-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 250 |
| Molecular Formula: | C5 H4 Br N3 O4 |
| Smiles: | Cn1c(C(O)=O)c(c(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.0937 |
| logD: | -5.3598 |
| logSw: | -0.1553 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.253 |
| InChI Key: | LRZZZPBEOYZOHW-UHFFFAOYSA-N |