ethyl 4-bromo-3-nitro-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
ethyl 4-bromo-3-nitro-1H-pyrazole-5-carboxylate
ethyl 4-bromo-3-nitro-1H-pyrazole-5-carboxylate
Compound characteristics
Compound ID: | 8006-1094 |
Compound Name: | ethyl 4-bromo-3-nitro-1H-pyrazole-5-carboxylate |
Molecular Weight: | 264.03 |
Molecular Formula: | C6 H6 Br N3 O4 |
Smiles: | CCOC(c1c(c(n[nH]1)[N+]([O-])=O)[Br])=O |
Stereo: | ACHIRAL |
logP: | 1.4266 |
logD: | 1.0977 |
logSw: | -1.4135 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.838 |
InChI Key: | KFVYSWCPNSMHAJ-UHFFFAOYSA-N |