| CAS Number | 244606-37-9 |
| Catalog Number | AG019TJ2 |
| Chemical Name | 3-Fluoro-4-sulfamoylbenzoic acid |
| IUPAC Name | 3-fluoro-4-sulfamoylbenzoic acid |
| InChI | InChI=1S/C7H6FNO4S/c8-5-3-4(7(10)11)1-2-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13) |
| InChI Key | VVFLFTAOLYCDDT-UHFFFAOYSA-N |
| MDL Number | MFCD21602650 |
| Molecular Formula | C7H6FNO4S |
| Molecular Weight | 219.1902 |
| SMILES | NS(C1=C(F)C=C(C(O)=O)C=C1)(=O)=O |
| Synonyms | 3-fluoro-4-sulfamoylbenzoic acid,
244606-37-9,
3-fluoro-4-sulphamoylbenzoic acid,
4-(aminosulfonyl)-3-fluorobenzoic acid,
SCHEMBL2777527,
VVFLFTAOLYCDDT-UHFFFAOYSA-N,
MFCD21602650,
ZINC34428339,
AKOS017739273,
MCULE-9706051317,
NE41627,
PS-11375,
Z1692567866,
3-fluoro-4-sulfamoyl-benzoic Acid,
CID11252958,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.186g/mol |
| Monoisotopic Mass | 219g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number