| CAS Number | 1155574-58-5 |
| Catalog Number | AG019X8F |
| Chemical Name | 1-(2-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-one |
| IUPAC Name | 2-(2-bromophenyl)-5-phenyl-4H-pyrazol-3-one |
| InChI | InChI=1S/C15H11BrN2O/c16-12-8-4-5-9-14(12)18-15(19)10-13(17-18)11-6-2-1-3-7-11/h1-9H,10H2 |
| InChI Key | QVOVBBCEYGAUMF-UHFFFAOYSA-N |
| MDL Number | MFCD12680943 |
| Molecular Formula | C15H11BrN2O |
| Molecular Weight | 315.1646 |
| SMILES | BrC1=C(N2C(=O)CC(C3=CC=CC=C3)=N2)C=CC=C1 |
| Synonyms | 1-(2-bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-one,
1155574-58-5,
AC1Q24GK,
CTK5I8751,
ZINC35778937,
AKOS008135528,
MCULE-2835302753,
NE28695,
EN300-54336,
1-(2-Bromophenyl)-3-phenyl-1H-pyrazole-5(4H)-one,
Z667939062,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.17g/mol |
| Monoisotopic Mass | 314.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number