| CAS Number | 613657-21-9 |
| Catalog Number | AG019HMT(AGN-PC-0T083N) |
| Chemical Name | 3-(2-Fluorobenzenesulfonamido)propanoic acid |
| IUPAC Name | 3-[(2-fluorophenyl)sulfonylamino]propanoic acid |
| InChI | InChI=1S/C9H10FNO4S/c10-7-3-1-2-4-8(7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13) |
| InChI Key | IHHDUPWVGVAAMD-UHFFFAOYSA-N |
| MDL Number | MFCD03620133 |
| Molecular Formula | C9H10FNO4S |
| Molecular Weight | 247.2434 |
| SMILES | OC(CCNS(C1=C(F)C=CC=C1)(=O)=O)=O |
| Synonyms | 3-(2-fluorobenzenesulfonamido)propanoic acid,
613657-21-9,
3-((2-fluorophenyl)sulfonamido)propanoic acid,
3-(2-Fluoro-benzenesulfonylamino)-propionic acid,
3-[(2-fluorophenyl)sulfonylamino]propanoic Acid,
AC1Q75OW,
AC1LF509,
SCHEMBL2941286,
CTK7J4442,
ZINC74402,
AKOS000264187,
MCULE-8317667833,
NE42478,
EN300-04059,
F1360-0157,
3-(2-fluoro-benzenesulfonylamino)-propionic acid, AldrichCPR,
CID697745,
|
| Complexity | 338 |
| 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 | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number