| CAS Number | 1396962-58-5 |
| Catalog Number | AG019HPT |
| Chemical Name | 2-(4-Chlorobenzenesulfonamido)-3-hydroxybutanoic acid |
| IUPAC Name | 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid |
| InChI | InChI=1S/C10H12ClNO5S/c1-6(13)9(10(14)15)12-18(16,17)8-4-2-7(11)3-5-8/h2-6,9,12-13H,1H3,(H,14,15) |
| InChI Key | PQRYZRJKXCNTKT-UHFFFAOYSA-N |
| MDL Number | MFCD03948303 |
| Molecular Formula | C10H12ClNO5S |
| Molecular Weight | 293.7240 |
| SMILES | CC(C(C(O)=O)NS(C1=CC=C(Cl)C=C1)(=O)=O)O |
| Synonyms | 2-(4-chlorobenzenesulfonamido)-3-hydroxybutanoic acid,
1396962-58-5,
2-(4-Chloro-benzenesulfonylamino)-3-hydroxy-butyric acid,
AC1MXLVS,
AC1Q2BR9,
CTK6A3814,
AKOS000117246,
AKOS016870117,
MCULE-2828112676,
NE30938,
ST51042994,
EN300-04315,
SR-01000036354,
SR-01000036354-1,
2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid,
2-{[(4-chlorophenyl)sulfonyl]amino}-3-hydroxybutanoic acid,
CID3792465,
2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-butanoic Acid,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.718g/mol |
| Monoisotopic Mass | 293.012g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number