4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one
4-bromo-1-methyl-5-[(2-nitrophenoxy)methyl]-2-phenylpyrazol-3-one
Also Known As: KS-00003PYH|MS-8865|4-BROMO-2-METHYL-3-((2-NITROPHENOXY)METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE|J1.418.461I|4-bromo-1-methyl-5-[(2-nitrophenoxy)methyl]-2-phenylpyrazol-3-one|4-bromo-1-methyl-5-[(2-nitrophenoxy)methyl]-2-phenyl-pyrazol-3-one|4-bromo-1-methyl-5-[(2-nitrophenoxy)methyl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one|1-Phenyl-2-methyl-3-[(2-nitrophenoxy)methyl]-4-bromo-3-pyrazoline-5-one|4-Bromo-2-methyl-3-(o-nitrophenoxymethyl)-1-phenyl-3-pyrazolin-5-one|4-Bromo-2-methyl-3-(o-nitrophenoxymethyl)-1-phenyl-3-pyrazoline-5-one
| Molecular Formula | C17H14BrN3O4 |
|---|---|
| Molecular Weight | 403.01678 g/mol |
| LogP | 3.4257 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.01678 |
| Monoisotopic Mass | 403.01678 |
| Heavy Atoms | 25 |
| Complexity | 979.3032 |
Chemical Identifiers
| CAS Number | 33697-10-8 |
|---|---|
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one (CAS 33697-10-8), with molecular formula C17H14BrN3O4 and molecular weight 403.01678 g/mol. IUPAC: 4-bromo-1-methyl-5-[(2-nitrophenoxy)methyl]-2-phenylpyrazol-3-one.