AC1OBDBK
4-[(3-chlorophenyl)methyliminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
Also Known As: KS-00003FDB|4-{[(3-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one|9B-123|4-[(3-chlorophenyl)methyliminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one|4-({[(3-chlorophenyl)methyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one|(4Z)-4-[[(3-chlorophenyl)methylamino]methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one|4-[[(3-chlorophenyl)methylamino]methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one|(4Z)-4-({[(3-chlorophenyl)methyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C12H9ClF3N3O |
|---|---|
| Molecular Weight | 303.03864 g/mol |
| LogP | 2.9943 |
| Topological Polar Surface Area | 61.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.03864 |
| Monoisotopic Mass | 303.03864 |
| Heavy Atoms | 20 |
| Complexity | 687.7414 |
Chemical Identifiers
| CAS Number | 338975-70-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CN=CC2=C(NNC2=O)C(F)(F)F |
Product Overview
AC1OBDBK (CAS 338975-70-5), with molecular formula C12H9ClF3N3O and molecular weight 303.03864 g/mol. IUPAC: 4-[(3-chlorophenyl)methyliminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one.