| CAS Number | 379729-09-6 |
| Catalog Number | AG019GN2 |
| Chemical Name | 3-(4-Fluoro-phenylsulfamoyl)-4-methyl-benzoic acid |
| IUPAC Name | 3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzoic acid |
| InChI | InChI=1S/C14H12FNO4S/c1-9-2-3-10(14(17)18)8-13(9)21(19,20)16-12-6-4-11(15)5-7-12/h2-8,16H,1H3,(H,17,18) |
| InChI Key | MTXSWENEFRJQMW-UHFFFAOYSA-N |
| MDL Number | MFCD03152725 |
| Molecular Formula | C14H12FNO4S |
| Molecular Weight | 309.3128 |
| SMILES | CC1=C(S(NC2=CC=C(F)C=C2)(=O)=O)C=C(C(O)=O)C=C1 |
| Synonyms | 3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzoic acid,
379729-09-6,
3-(4-Fluoro-phenylsulfamoyl)-4-methyl-benzoic acid,
AC1Q2EDH,
AC1M6B8P,
Oprea1_396238,
CTK7C0946,
ZINC3227279,
AKOS000114930,
MCULE-6602106221,
NE12405,
EN300-00572,
Z56827686,
CID2345461,
3-[(4-fluorophenyl)sulfamoyl]-4-methyl-benzoic Acid,
|
| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.311g/mol |
| Monoisotopic Mass | 309.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number