| CAS Number | 790725-72-3 |
| Catalog Number | AG019NM2 |
| Chemical Name | 2-[(4-fluorobenzenesulfonamido)oxy]acetic acid |
| IUPAC Name | 2-[(4-fluorophenyl)sulfonylamino]oxyacetic acid |
| InChI | InChI=1S/C8H8FNO5S/c9-6-1-3-7(4-2-6)16(13,14)10-15-5-8(11)12/h1-4,10H,5H2,(H,11,12) |
| InChI Key | JYCJJJKCRVCGKY-UHFFFAOYSA-N |
| MDL Number | MFCD06359955 |
| Molecular Formula | C8H8FNO5S |
| Molecular Weight | 249.2162 |
| SMILES | OC(CONS(C1=CC=C(F)C=C1)(=O)=O)=O |
| Synonyms | 790725-72-3,
2-(4-fluorobenzenesulfonamidooxy)acetic acid,
({[(4-fluorophenyl)sulfonyl]amino}oxy)acetic acid,
2-[(4-fluorobenzenesulfonamido)oxy]acetic acid,
AC1M82TK,
2-[(4-fluorophenyl)sulfonylamino]oxyacetic Acid,
AC1Q768F,
CTK7J5586,
HMS1775M16,
ZINC3410457,
AKOS008967617,
MCULE-3058897064,
NE26182,
EN300-11161,
Z57036278,
CID2529383,
(([(4-fluorophenyl)sulfonyl]amino)oxy)acetic acid,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.212g/mol |
| Monoisotopic Mass | 249.011g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number