| CAS Number | 746655-82-3 |
| Catalog Number | AG019JYC(AGN-PC-0U5TAH) |
| Chemical Name | 3-([(2-Chlorophenyl)sulfonyl]amino)propanoic acid |
| IUPAC Name | 3-[(2-chlorophenyl)sulfonylamino]propanoic acid |
| InChI | InChI=1S/C9H10ClNO4S/c10-7-3-1-2-4-8(7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13) |
| InChI Key | HJRPPGPCPXRMFK-UHFFFAOYSA-N |
| MDL Number | MFCD06351002 |
| Molecular Formula | C9H10ClNO4S |
| Molecular Weight | 263.6980 |
| SMILES | OC(CCNS(C1=C(Cl)C=CC=C1)(=O)=O)=O |
| Synonyms | 3-(2-chlorobenzenesulfonamido)propanoic acid,
746655-82-3,
3-{[(2-chlorophenyl)sulfonyl]amino}propanoic acid,
AC1M1EQP,
3-[(2-chlorophenyl)sulfonylamino]propanoic Acid,
AC1Q75O9,
SCHEMBL2949015,
CTK7J4441,
ZINC2631702,
AKOS002682119,
MCULE-2302304552,
NE22601,
NCGC00329055-01,
EN300-10723,
AB01323045-02,
Z45532347,
CID2094179,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.692g/mol |
| Monoisotopic Mass | 263.002g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number