4-bromo-1-[(3-methylphenyl)methyl]-3-nitro-1H-pyrazole
Chemical Structure Depiction of
4-bromo-1-[(3-methylphenyl)methyl]-3-nitro-1H-pyrazole
4-bromo-1-[(3-methylphenyl)methyl]-3-nitro-1H-pyrazole
Compound characteristics
| Compound ID: | Y504-9050 |
| Compound Name: | 4-bromo-1-[(3-methylphenyl)methyl]-3-nitro-1H-pyrazole |
| Molecular Weight: | 296.12 |
| Molecular Formula: | C11 H10 Br N3 O2 |
| Smiles: | Cc1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Br])c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0724 |
| logD: | 3.0724 |
| logSw: | -2.9975 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.835 |
| InChI Key: | ZVUQUVLXSFUABB-UHFFFAOYSA-N |