| CAS Number | 5285-53-0 |
| Catalog Number | AG00DD3T(AGN-PC-0WB4B8) |
| Chemical Name | N-(2-bromo-4-methylphenyl)propanamide |
| IUPAC Name | N-(2-bromo-4-methylphenyl)propanamide |
| InChI | InChI=1S/C10H12BrNO/c1-3-10(13)12-9-5-4-7(2)6-8(9)11/h4-6H,3H2,1-2H3,(H,12,13) |
| InChI Key | ADETYDUBFDREDZ-UHFFFAOYSA-N |
| MDL Number | MFCD00791250 |
| Molecular Formula | C10H12BrNO |
| Molecular Weight | 242.1124 |
| SMILES | N(C(CC)=O)C1=CC=C(C=C1Br)C |
| Synonyms | N-(2-bromo-4-methylphenyl)propanamide,
5285-53-0,
N-(2-Bromo-4-methylphenyl)propionamide,
CTK4J6629,
DTXSID80399560,
AC1N4408,
ZINC3103915,
MFCD00791250,
STK481815,
AKOS000177309,
MCULE-2455954387,
AJ-44468,
ST50925184,
W-7611,
CID4122742,
N-(2-bromo-4-methyl-phenyl)propanamide,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number