| CAS Number | 57775-11-8 |
| Catalog Number | AG01EWIS(AGN-PC-0NIBI9) |
| Chemical Name | 3-(4-Bromophenyl)propanamide |
| IUPAC Name | 3-(4-bromophenyl)propanamide |
| InChI | InChI=1S/C9H10BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H2,11,12) |
| InChI Key | MSYVIHNLCVUBFM-UHFFFAOYSA-N |
| MDL Number | MFCD17170783 |
| Molecular Formula | C9H10BrNO |
| Molecular Weight | 228.0858 |
| SMILES | C(=O)(N)CCC1C=CC(Br)=CC=1 |
| Synonyms | 3-(4-Bromophenyl)propanamide,
4-Bromo-benzenepropanamide,
57775-11-8,
4-Bromobenzenepropanamide,
SCHEMBL4537533,
MSYVIHNLCVUBFM-UHFFFAOYSA-N,
3-?(4-?Bromophenyl)?propanamide,
AKOS022362349,
PARA-BROMO-CIS-2-PHENYLCYCLOPROPYL-1-AMINE,
TCF,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.089g/mol |
| Monoisotopic Mass | 226.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number