| CAS Number | 721415-29-8 |
| Catalog Number | AG00FC8E |
| Chemical Name | 4-Chloro-3-[(4-fluorophenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C13H9ClFNO4S/c14-11-6-1-8(13(17)18)7-12(11)21(19,20)16-10-4-2-9(15)3-5-10/h1-7,16H,(H,17,18) |
| InChI Key | ZNLCUHPLAHASPH-UHFFFAOYSA-N |
| MDL Number | MFCD03949041 |
| Molecular Formula | C13H9ClFNO4S |
| Molecular Weight | 329.7313 |
| SMILES | O=C(O)C1=CC=C(Cl)C(S(=O)(NC2=CC=C(F)C=C2)=O)=C1 |
| Synonyms | 4-Chloro-3-(4-fluoro-phenylsulfamoyl)-benzoic acid,
721415-29-8,
4-chloro-3-[(4-fluorophenyl)sulfamoyl]benzoic Acid,
4-Chloro-3-(N-(4-fluorophenyl)sulfamoyl)benzoic acid,
AC1M63MP,
AC1Q72RY,
CTK7C0948,
ZINC3222764,
AKOS008941937,
MCULE-6440452078,
NE30171,
EN300-04218,
J-514986,
Z45631383,
CID2341182,
|
| Complexity | 473 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.726g/mol |
| Monoisotopic Mass | 328.992g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number