{5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-yl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Chemical Structure Depiction of
{5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-yl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
{5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-yl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Compound characteristics
| Compound ID: | Y500-3907 |
| Compound Name: | {5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-yl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone |
| Molecular Weight: | 447.75 |
| Molecular Formula: | C17 H13 Cl F3 N3 O6 |
| Smiles: | CC1CC(C(F)(F)F)(N(C(c2ccc(COc3cc(ccc3[Cl])[N+]([O-])=O)o2)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6607 |
| logD: | 3.6606 |
| logSw: | -3.7759 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.5 |
| InChI Key: | HIGSUTUCQKIYNK-INIZCTEOSA-N |