| CAS Number | 328028-11-1 |
| Catalog Number | AG019GIA |
| Chemical Name | 3-[(2-Fluorophenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-[(2-fluorophenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C13H10FNO4S/c14-11-6-1-2-7-12(11)15-20(18,19)10-5-3-4-9(8-10)13(16)17/h1-8,15H,(H,16,17) |
| InChI Key | FMUBMBGZINBXJE-UHFFFAOYSA-N |
| MDL Number | MFCD02704605 |
| Molecular Formula | C13H10FNO4S |
| Molecular Weight | 295.2862 |
| SMILES | OC(C1=CC(S(NC2=C(F)C=CC=C2)(=O)=O)=CC=C1)=O |
| Synonyms | 3-[(2-fluorophenyl)sulfamoyl]benzoic Acid,
3-(2-Fluoro-phenylsulfamoyl)-benzoic acid,
328028-11-1,
AC1M4Y9K,
AC1Q73JI,
Oprea1_526196,
SCHEMBL398719,
CTK7C2572,
FMUBMBGZINBXJE-UHFFFAOYSA-N,
ZINC3186058,
AKOS000114654,
MCULE-1702868920,
NE12177,
UPCMLD0ENAT0503-4387:001,
EN300-00281,
3-{[(2-fluorophenyl)amino]sulfonyl}benzoic acid,
Z45639799,
CID2318073,
|
| Complexity | 448 |
| 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 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number