| CAS Number | 379726-47-3 |
| Catalog Number | AG019GIT |
| Chemical Name | 4-(2-Fluoro-phenylsulfamoyl)-benzoic acid |
| IUPAC Name | 4-[(2-fluorophenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C13H10FNO4S/c14-11-3-1-2-4-12(11)15-20(18,19)10-7-5-9(6-8-10)13(16)17/h1-8,15H,(H,16,17) |
| InChI Key | PLWRKCDZYZMOOK-UHFFFAOYSA-N |
| MDL Number | MFCD03152466 |
| Molecular Formula | C13H10FNO4S |
| Molecular Weight | 295.2862 |
| SMILES | OC(C1=CC=C(S(NC2=C(F)C=CC=C2)(=O)=O)C=C1)=O |
| Synonyms | 4-[(2-fluorophenyl)sulfamoyl]benzoic Acid,
379726-47-3,
4-(2-Fluoro-phenylsulfamoyl)-benzoic acid,
AC1M6AJH,
Oprea1_601436,
AC1Q737C,
CTK7C2571,
ZINC3226932,
AKOS000114666,
MCULE-6643376357,
NE41156,
EN300-00312,
Z45639900,
CID2345107,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.284g/mol |
| Monoisotopic Mass | 295.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number