| CAS Number | 731815-66-0 |
| Catalog Number | AG018SJO(AGN-PC-0KG05C) |
| Chemical Name | 2-(3-fluorobenzenesulfonamido)acetic acid |
| IUPAC Name | 2-[(3-fluorophenyl)sulfonylamino]acetic acid |
| InChI | InChI=1S/C8H8FNO4S/c9-6-2-1-3-7(4-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12) |
| InChI Key | LNAOZODYXFPHOX-UHFFFAOYSA-N |
| MDL Number | MFCD04627901 |
| Molecular Formula | C8H8FNO4S |
| Molecular Weight | 233.2168 |
| SMILES | OC(CNS(C1=CC(F)=CC=C1)(=O)=O)=O |
| Synonyms | 731815-66-0,
{[(3-fluorophenyl)sulfonyl]amino}acetic acid,
((3-fluorophenyl)sulfonyl)glycine,
2-(3-fluorobenzenesulfonamido)acetic acid,
2-[(3-fluorophenyl)sulfonylamino]acetic Acid,
AC1M70ME,
AC1Q762Z,
CTK7J5360,
ZINC3293367,
AKOS000117152,
MCULE-8058236410,
NE44174,
NCGC00337154-01,
RT-011086,
EN300-07281,
AB01331017-02,
Z45658551,
F9995-0593,
CID2408994,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.213g/mol |
| Monoisotopic Mass | 233.016g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number