| CAS Number | 134046-67-6 |
| Catalog Number | AG01AJKP(AGN-PC-03E2WV) |
| Chemical Name | N-(3-Bromophenyl)prop-2-enamide |
| IUPAC Name | N-(3-bromophenyl)prop-2-enamide |
| InChI | InChI=1S/C9H8BrNO/c1-2-9(12)11-8-5-3-4-7(10)6-8/h2-6H,1H2,(H,11,12) |
| InChI Key | PAJMSUNTWHMLKC-UHFFFAOYSA-N |
| MDL Number | MFCD11133822 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | C=CC(NC1=CC=CC(Br)=C1)=O |
| Synonyms | N-(3-bromophenyl)prop-2-enamide,
134046-67-6,
N-(3-Bromophenyl)Acrylamide,
CHEMBL2086470,
SCHEMBL1381249,
2-Propenamide, N-(3-bromophenyl)-,
BDBM50420535,
ZINC36883033,
AKOS009292138,
NE26829,
EN300-80967,
Z1937720870,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.073g/mol |
| Monoisotopic Mass | 224.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number