| CAS Number | 371917-69-0 |
| Catalog Number | AG019GU5 |
| Chemical Name | 3-(3-Bromo-phenyl)-1-phenyl-1h-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-(3-bromophenyl)-1-phenylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C16H11BrN2O/c17-14-6-4-5-12(9-14)16-13(11-20)10-19(18-16)15-7-2-1-3-8-15/h1-11H |
| InChI Key | IODNBYBZEIGTHI-UHFFFAOYSA-N |
| MDL Number | MFCD02633840 |
| Molecular Formula | C16H11BrN2O |
| Molecular Weight | 327.1753 |
| SMILES | BrC1=CC(C2C(C=O)=CN(C3=CC=CC=C3)N=2)=CC=C1 |
| Synonyms | 3-(3-bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde,
371917-69-0,
3-(3-Bromo-phenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde,
AC1LGV0W,
AC1Q253S,
CTK7I0361,
ZINC446192,
AKOS000115233,
MCULE-7596739162,
NE17756,
EN300-01166,
3-(3-bromophenyl)-1-phenylpyrazole-4-carbaldehyde,
1-Phenyl-3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde,
CID877275,
ZINC00446192,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.181g/mol |
| Monoisotopic Mass | 326.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number