methyl 2-chloro-5-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)benzoate
methyl 2-chloro-5-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 8018-1561 |
| Compound Name: | methyl 2-chloro-5-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)benzoate |
| Molecular Weight: | 309.71 |
| Molecular Formula: | C13 H12 Cl N3 O4 |
| Smiles: | Cc1c(c(C)n(c2ccc(c(c2)C(=O)OC)[Cl])n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7757 |
| logD: | 2.7757 |
| logSw: | -3.6592 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.61 |
| InChI Key: | CMVDDODZMQLRIU-UHFFFAOYSA-N |