| CAS Number | 572882-25-8 |
| Catalog Number | AG00ECKT(AGN-PC-00UXAH) |
| Chemical Name | 3-CHLORO-N-[4-(2-OXOPYRROLIDIN-1-YL)PHENYL]PROPANAMIDE |
| IUPAC Name | 2-chloro-N-(4-methylsulfonylphenyl)acetamide |
| InChI | InChI=1S/C9H10ClNO3S/c1-15(13,14)8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12) |
| InChI Key | HNTBRCDGAKVWJX-UHFFFAOYSA-N |
| MDL Number | MFCD06409118 |
| Molecular Formula | C9H10ClNO3S |
| Molecular Weight | 247.6986 |
| SMILES | O=C(NC1=CC=C(S(=O)(C)=O)C=C1)CCl |
| Synonyms | 2-chloro-N-[4-(methylsulfonyl)phenyl]acetamide,
572882-25-8,
2-Chloro-N-(4-(methylsulfonyl)phenyl)acetamide,
AC1Q4GJF,
SCHEMBL7289377,
CTK6H5509,
ZINC9458163,
BBL018390,
MFCD06409118,
STL185534,
AKOS000202908,
MCULE-3609297998,
UPCMLD0ENAT5706022:001,
EN300-24565,
J-509130,
J-524246,
H0010,
sodium (4-methyl-1,3-thiazol-2-yl)acetate,
3-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide,
|
| Complexity | 315 |
| 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