| CAS Number | 1212343-99-1 |
| Catalog Number | AG019XCQ |
| Chemical Name | (2S)-2-(2-fluorobenzenesulfonamido)propanoic acid |
| IUPAC Name | (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoic acid |
| InChI | InChI=1S/C9H10FNO4S/c1-6(9(12)13)11-16(14,15)8-5-3-2-4-7(8)10/h2-6,11H,1H3,(H,12,13)/t6-/m0/s1 |
| InChI Key | XEWYRRHRYVLKKL-LURJTMIESA-N |
| MDL Number | MFCD06409374 |
| Molecular Formula | C9H10FNO4S |
| Molecular Weight | 247.2434 |
| SMILES | C[C@@H](C(O)=O)NS(C1=C(F)C=CC=C1)(=O)=O |
| Synonyms | (2S)-2-(2-fluorobenzenesulfonamido)propanoic acid,
1212343-99-1,
(2S)-2-[(2-fluorobenzene)sulfonamido]propanoic acid,
AC1LF50I,
AC1Q29LG,
CTK7I3164,
ZINC74408,
AKOS010366244,
MCULE-9928279765,
NE30606,
EN300-54663,
(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoic acid,
Z115596426,
CID697748,
2-[(2-fluorophenyl)sulfonylamino]propanoic Acid,
(2S)-2-{[(2-fluorophenyl)sulfonyl]amino}propanoic acid,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.24g/mol |
| Monoisotopic Mass | 247.031g/mol |
| Rotatable Bond Count | 4 |
| 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