(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-nitrophenyl)methanone
Chemical Structure Depiction of
(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-nitrophenyl)methanone
(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 4487-0681 |
| Compound Name: | (4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3-nitrophenyl)methanone |
| Molecular Weight: | 279.68 |
| Molecular Formula: | C12 H10 Cl N3 O3 |
| Smiles: | Cc1c(c(C)n(C(c2cccc(c2)[N+]([O-])=O)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1732 |
| logD: | 2.1732 |
| logSw: | -3.2786 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.234 |
| InChI Key: | UNCODQNESIWJHU-UHFFFAOYSA-N |