| CAS Number | 923175-13-7 |
| Catalog Number | AG00IH33(AGN-PC-0WR4J0) |
| Chemical Name | 2-chloro-N-(2-methanesulfonylphenyl)acetamide |
| IUPAC Name | 2-chloro-N-(2-methylsulfonylphenyl)acetamide |
| InChI | InChI=1S/C9H10ClNO3S/c1-15(13,14)8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12) |
| InChI Key | BTWKDNCQOZHSLW-UHFFFAOYSA-N |
| MDL Number | MFCD08444147 |
| Molecular Formula | C9H10ClNO3S |
| Molecular Weight | 247.6986 |
| SMILES | CS(C1=C(NC(CCl)=O)C=CC=C1)(=O)=O |
| Synonyms | 2-chloro-N-[2-(methylsulfonyl)phenyl]acetamide,
923175-13-7,
2-chloro-N-(2-methanesulfonylphenyl)acetamide,
2-chloro-N-(2-(methylsulfonyl)phenyl)acetamide,
AC1Q4GGF,
CTK6H5638,
ZINC9646761,
MFCD08444147,
AKOS001258655,
MCULE-3656503538,
NE53674,
EN300-23249,
|
| 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 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number