| CAS Number | 1008050-74-5 |
| Catalog Number | AG019J21(AGN-PC-0WCN8S) |
| Chemical Name | 2-(2-Fluorobenzenesulfonamido)propanoic acid |
| IUPAC Name | 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) |
| InChI Key | XEWYRRHRYVLKKL-UHFFFAOYSA-N |
| MDL Number | MFCD03618986 |
| Molecular Formula | C9H10FNO4S |
| Molecular Weight | 247.2434 |
| SMILES | CC(C(O)=O)NS(C1=C(F)C=CC=C1)(=O)=O |
| Synonyms | 1008050-74-5,
2-(2-fluorobenzenesulfonamido)propanoic acid,
((2-fluorophenyl)sulfonyl)alanine,
(2S)-2-{[(2-fluorophenyl)sulfonyl]amino}propanoic acid,
2-[(2-fluorophenyl)sulfonylamino]propanoic Acid,
AC1MOBCE,
AC1Q2BOT,
AKOS000264533,
AKOS016055004,
MCULE-8112585247,
NE23121,
EU-0015588,
EN300-08387,
Z45674807,
F0920-4297,
CID3341001,
(2S)-2-(2-fluorobenzenesulfonamido)propanoic acid,
1212343-99-1,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number