| CAS Number | 915921-40-3 |
| Catalog Number | AG00GVTQ(AGN-PC-0WB513) |
| Chemical Name | N-(2-bromobenzyl)propanamide |
| IUPAC Name | N-[(2-bromophenyl)methyl]propanamide |
| InChI | InChI=1S/C10H12BrNO/c1-2-10(13)12-7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3,(H,12,13) |
| InChI Key | YGXLEXDBURIQHW-UHFFFAOYSA-N |
| MDL Number | MFCD08569830 |
| Molecular Formula | C10H12BrNO |
| Molecular Weight | 242.1124 |
| SMILES | CCC(=O)NCc1ccccc1Br |
| Synonyms | N-(2-bromobenzyl)propanamide,
915921-40-3,
N-(2-Bromobenzyl)propionamide,
N-[(2-bromophenyl)methyl]propanamide,
SCHEMBL2905338,
CTK5G9973,
DTXSID70589296,
CHEMBRDG-BB 9070730,
MFCD08569830,
STK481817,
ZINC13322356,
AKOS003399902,
MCULE-2369126645,
AJ-63619,
ST50892996,
Y-3951,
CHEMBRDG-BB9070730,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.116g/mol |
| Monoisotopic Mass | 241.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number