| CAS Number | 696646-49-8 |
| Catalog Number | AG00J5ZK(AGN-PC-0OGSHC) |
| Chemical Name | 3-(3-Bromophenyl)-1h-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C10H7BrN2O/c11-9-3-1-2-7(4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13) |
| InChI Key | YMIUREILNBMIQQ-UHFFFAOYSA-N |
| MDL Number | MFCD03834504 |
| Molecular Formula | C10H7BrN2O |
| Molecular Weight | 251.0794 |
| SMILES | C1=CC(=CC(=C1)Br)C2=NNC=C2C=O |
| Synonyms | 3-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde,
696646-49-8,
AC1N5SNG,
CTK7H8451,
CTK8F4632,
ZINC266298,
ALBB-006697,
MFCD03834504,
STK500614,
AKOS000266584,
MCULE-3857729324,
TR-059228,
R7979,
5-(3-bromophenyl)-1H-pyrazole-4-carbaldehyde,
CID4201982,
3-(3-bromophenyl)-2H-pyrazole-4-carbaldehyde,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.083g/mol |
| Monoisotopic Mass | 249.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number