CBMicro_010259
1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone
Also Known As: CBMicro_010259|ChemDiv1_007645|HMS608L11|BIM-0010271.P001|1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone|3-(4-bromophenyl)-1-[(4-nitrophenyl)acetyl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol|1-[3-(4-Bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
| Molecular Formula | C18H13BrF3N3O4 |
|---|---|
| Molecular Weight | 471.00415 g/mol |
| LogP | 3.7873 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.00415 |
| Monoisotopic Mass | 471.00415 |
| Heavy Atoms | 29 |
| Complexity | 977.341 |
Chemical Identifiers
| CAS Number | 6068-95-7 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br |
Product Overview
CBMicro_010259 (CAS 6068-95-7), with molecular formula C18H13BrF3N3O4 and molecular weight 471.00415 g/mol. IUPAC: 1-[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone.
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