| CAS Number | 879319-38-7 |
| Catalog Number | AG00IETP(AGN-PC-0WR4G4) |
| Chemical Name | 2-chloro-N-(3-methanesulfonylphenyl)acetamide |
| IUPAC Name | 2-chloro-N-(3-methylsulfonylphenyl)acetamide |
| InChI | InChI=1S/C9H10ClNO3S/c1-15(13,14)8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12) |
| InChI Key | DESZRBKDEHWJOV-UHFFFAOYSA-N |
| MDL Number | MFCD08261057 |
| Molecular Formula | C9H10ClNO3S |
| Molecular Weight | 247.6986 |
| SMILES | CS(C1=CC(NC(CCl)=O)=CC=C1)(=O)=O |
| Synonyms | 2-chloro-N-[3-(methylsulfonyl)phenyl]acetamide,
879319-38-7,
2-chloro-N-(3-methanesulfonylphenyl)acetamide,
2-Chloro-N-(3-(methylsulfonyl)phenyl)acetamide,
AC1Q4GHC,
CTK6H5598,
ZINC8428180,
MFCD08261057,
AKOS008068479,
MCULE-9615353958,
NE46948,
EN300-23248,
2-Chloro-N-(3-methanesulfonyl-phenyl)-acetamide,
ZINC08428180,
CID9533927,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.693g/mol |
| Monoisotopic Mass | 247.007g/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