| CAS Number | 1030694-79-1 |
| Catalog Number | AG01C4H7 |
| Chemical Name | 2-fluoro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 2-fluoro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C13H9F2NO4S/c14-8-2-1-3-9(6-8)16-21(19,20)10-4-5-12(15)11(7-10)13(17)18/h1-7,16H,(H,17,18) |
| InChI Key | YTEAVWREHIDQRX-UHFFFAOYSA-N |
| MDL Number | MFCD10593021 |
| Molecular Formula | C13H9F2NO4S |
| Molecular Weight | 313.2767 |
| SMILES | OC(C1=C(F)C=CC(S(NC2=CC(F)=CC=C2)(=O)=O)=C1)=O |
| Synonyms | 2-fluoro-5-[(3-fluorophenyl)sulfamoyl]benzoic Acid,
1030694-79-1,
AC1P88MA,
ZINC36398780,
AKOS008941970,
MCULE-1324559712,
Z45634281,
CID8497586,
|
| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.275g/mol |
| Monoisotopic Mass | 313.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number