| CAS Number | 1156804-12-4 |
| Catalog Number | AG01AGUN |
| Chemical Name | 3-(2-chloropyridine-3-sulfonamido)butanoic acid |
| IUPAC Name | 3-[(2-chloropyridin-3-yl)sulfonylamino]butanoic acid |
| InChI | InChI=1S/C9H11ClN2O4S/c1-6(5-8(13)14)12-17(15,16)7-3-2-4-11-9(7)10/h2-4,6,12H,5H2,1H3,(H,13,14) |
| InChI Key | MLRPCICMAJJEJF-UHFFFAOYSA-N |
| MDL Number | MFCD12644238 |
| Molecular Formula | C9H11ClN2O4S |
| Molecular Weight | 278.7126 |
| SMILES | CC(NS(C1=C(Cl)N=CC=C1)(=O)=O)CC(O)=O |
| Synonyms | 3-(2-chloropyridine-3-sulfonamido)butanoic acid,
1156804-12-4,
AC1Q1QYE,
AKOS008098067,
MCULE-2472899760,
NE43357,
EN300-72904,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.707g/mol |
| Monoisotopic Mass | 278.013g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number