| CAS Number | 929974-15-2 |
| Catalog Number | AG019KD2 |
| Chemical Name | 3-([(6-Chloropyridin-3-yl)sulfonyl]amino)propanoic acid |
| IUPAC Name | 3-[(6-chloropyridin-3-yl)sulfonylamino]propanoic acid |
| InChI | InChI=1S/C8H9ClN2O4S/c9-7-2-1-6(5-10-7)16(14,15)11-4-3-8(12)13/h1-2,5,11H,3-4H2,(H,12,13) |
| InChI Key | IOEYIOQUZIENMD-UHFFFAOYSA-N |
| MDL Number | MFCD08729206 |
| Molecular Formula | C8H9ClN2O4S |
| Molecular Weight | 264.6861 |
| SMILES | OC(CCNS(C1=CN=C(Cl)C=C1)(=O)=O)=O |
| Synonyms | 3-(6-chloropyridine-3-sulfonamido)propanoic acid,
929974-15-2,
3-{[(6-chloropyridin-3-yl)sulfonyl]amino}propanoic acid,
AC1Q75P2,
CTK7J4424,
ZINC12505228,
AKOS008940717,
MCULE-1509800296,
NE23499,
EN300-26433,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.68g/mol |
| Monoisotopic Mass | 263.997g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number