| CAS Number | 314043-67-9 |
| Catalog Number | AG019GKP |
| Chemical Name | 4-Fluoro-3-(4-methoxy-phenylsulfamoyl)-benzoic acid |
| IUPAC Name | 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H12FNO5S/c1-21-11-5-3-10(4-6-11)16-22(19,20)13-8-9(14(17)18)2-7-12(13)15/h2-8,16H,1H3,(H,17,18) |
| InChI Key | JEMRLDDKWRHQCQ-UHFFFAOYSA-N |
| MDL Number | MFCD02085580 |
| Molecular Formula | C14H12FNO5S |
| Molecular Weight | 325.3122 |
| SMILES | COC1=CC=C(NS(C2=C(F)C=CC(C(O)=O)=C2)(=O)=O)C=C1 |
| Synonyms | 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoic Acid,
314043-67-9,
4-Fluoro-3-(4-methoxy-phenylsulfamoyl)-benzoic acid,
AC1LFFLV,
AC1Q4DG5,
Cambridge id 6638295,
Oprea1_683411,
CTK7A4941,
ZINC267731,
AKOS000114766,
MCULE-9393359507,
NE23775,
EN300-00452,
AB00113575-01,
SR-01000239960,
SR-01000239960-1,
4-fluoro-3-[(4-methoxyanilino)sulfonyl]benzoic acid,
Z56794395,
CID777280,
|
| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.31g/mol |
| Monoisotopic Mass | 325.042g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number