| CAS Number | 300667-27-0 |
| Catalog Number | AG019GLR |
| Chemical Name | 3-(4-Fluoro-phenylsulfamoyl)-benzoic acid |
| IUPAC Name | 3-[(4-fluorophenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C13H10FNO4S/c14-10-4-6-11(7-5-10)15-20(18,19)12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17) |
| InChI Key | OJVDUXURNHYJCV-UHFFFAOYSA-N |
| MDL Number | MFCD00622722 |
| Molecular Formula | C13H10FNO4S |
| Molecular Weight | 295.2862 |
| SMILES | OC(C1=CC(S(NC2=CC=C(F)C=C2)(=O)=O)=CC=C1)=O |
| Synonyms | 3-[(4-fluorophenyl)sulfamoyl]benzoic Acid,
3-(4-Fluoro-phenylsulfamoyl)-benzoic acid,
300667-27-0,
AC1LFUDV,
AC1Q73JC,
Oprea1_238794,
Oprea1_627457,
CTK7C0956,
ZINC227714,
AKOS000115040,
MCULE-5618028068,
NE11623,
3-(N-(4-fluorophenyl)sulfamoyl)benzoic acid,
EU-0007287,
EN300-00502,
SR-01000109939,
SR-01000109939-1,
F0913-0839,
CID760130,
|
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number