| CAS Number | 461413-87-6 |
| Catalog Number | AG00DCYW(AGN-PC-0WB4FP) |
| Chemical Name | N-(4-Bromo-2-methylphenyl)propionamide |
| IUPAC Name | N-(4-bromo-2-methylphenyl)propanamide |
| InChI | InChI=1S/C10H12BrNO/c1-3-10(13)12-9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3,(H,12,13) |
| InChI Key | NNERYNFNPZELNI-UHFFFAOYSA-N |
| MDL Number | MFCD03245415 |
| Molecular Formula | C10H12BrNO |
| Molecular Weight | 242.1124 |
| SMILES | CCC(=O)Nc1ccc(cc1C)Br |
| Synonyms | N-(4-bromo-2-methylphenyl)propanamide,
461413-87-6,
N-(4-Bromo-2-methylphenyl)propionamide,
AC1LJI4T,
SCHEMBL11620459,
CTK4I9192,
DTXSID50358927,
ZINC514160,
MFCD03245415,
STK141688,
AKOS000186033,
MCULE-2719412006,
N-(2-Methyl-4-bromophenyl)propanamide,
AJ-23267,
Y-0252,
N- PROPANAMIDE,
CID924952,
ZINC00514160,
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| Complexity | 184 |
| 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 | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number