| CAS Number | 1103964-06-2 |
| Catalog Number | AG008U3C |
| Chemical Name | 2-[(4-Chlorobenzoyl)amino]-4-(methylsulfonyl)butanoic acid |
| IUPAC Name | 2-[(4-chlorobenzoyl)amino]-4-methylsulfonylbutanoic acid |
| InChI | InChI=1S/C12H14ClNO5S/c1-20(18,19)7-6-10(12(16)17)14-11(15)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17) |
| InChI Key | ZSBFDIPIJCQQCV-UHFFFAOYSA-N |
| MDL Number | MFCD08729194 |
| Molecular Formula | C12H14ClNO5S |
| Molecular Weight | 319.7613 |
| SMILES | O=C(O)C(NC(C1=CC=C(Cl)C=C1)=O)CCS(=O)(C)=O |
| Synonyms | 2-[(4-chlorobenzoyl)amino]-4-(methylsulfonyl)butanoic acid,
1103964-06-2,
2-[(4-chlorophenyl)formamido]-4-methanesulfonylbutanoic acid,
AC1Q4GMF,
CTK7F7127,
AKOS009075889,
MCULE-5659557184,
NE19961,
EN300-23075,
J-507585,
2-(4-Chlorobenzamido)-4-(methylsulfonyl)butanoic acid,
Z228474736,
2-[(4-chlorobenzoyl)amino]-4-methylsulfonylbutanoic acid,
|
| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.756g/mol |
| Monoisotopic Mass | 319.028g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number