| CAS Number | 347196-42-3 |
| Catalog Number | AG019VLS |
| Chemical Name | 2-chloro-N-(5-methanesulfonyl-2-methylphenyl)acetamide |
| IUPAC Name | 2-chloro-N-(2-methyl-5-methylsulfonylphenyl)acetamide |
| InChI | InChI=1S/C10H12ClNO3S/c1-7-3-4-8(16(2,14)15)5-9(7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13) |
| InChI Key | YOFAEJCCMDDTLI-UHFFFAOYSA-N |
| MDL Number | MFCD11644019 |
| Molecular Formula | C10H12ClNO3S |
| Molecular Weight | 261.7252 |
| SMILES | CC1=C(NC(CCl)=O)C=C(S(C)(=O)=O)C=C1 |
| Synonyms | 2-chloro-N-(5-methanesulfonyl-2-methylphenyl)acetamide,
347196-42-3,
SCHEMBL6343224,
YOFAEJCCMDDTLI-UHFFFAOYSA-N,
ZINC36963037,
AKOS009158818,
2-Chloro-N-(2-methyl-5-methanesulphonylphenyl)acetamide,
Z1562151774,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.72g/mol |
| Monoisotopic Mass | 261.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number