| CAS Number | 1028252-11-0 |
| Catalog Number | AG01A51Y |
| Chemical Name | 5-Chloro-2-methylbenzamide |
| IUPAC Name | 5-chloro-2-methylbenzamide |
| InChI | InChI=1S/C8H8ClNO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11) |
| InChI Key | FSBZFVCIKUIIMT-UHFFFAOYSA-N |
| MDL Number | MFCD11044835 |
| Molecular Formula | C8H8ClNO |
| Molecular Weight | 169.6082 |
| SMILES | ClC=1C=CC(=C(C(=O)N)C1)C |
| Synonyms | 5-Chloro-2-methylbenzamide,
1028252-11-0,
SCHEMBL1999332,
CTK8J1222,
MFCD11044835,
ZINC49804962,
AKOS006307601,
NE54461,
AS-48664,
Y5855,
C8H8ClNO,
2-bromo-2-(4-chlorophenyl)acetonitrile,
53731-99-0,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.608g/mol |
| Monoisotopic Mass | 169.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number