| CAS Number | 406928-29-8 |
| Catalog Number | AG019GLA |
| Chemical Name | 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid |
| IUPAC Name | 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid |
| InChI | InChI=1S/C15H14FNO6S/c1-22-13-8-9(7-10(15(18)19)14(13)23-2)24(20,21)17-12-6-4-3-5-11(12)16/h3-8,17H,1-2H3,(H,18,19) |
| InChI Key | UGWBWWQLGYGIJU-UHFFFAOYSA-N |
| MDL Number | MFCD02712081 |
| Molecular Formula | C15H14FNO6S |
| Molecular Weight | 355.3382 |
| SMILES | COC1=C(OC)C(C(O)=O)=CC(S(NC2=C(F)C=CC=C2)(=O)=O)=C1 |
| Synonyms | 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid,
406928-29-8,
5-(2-Fluoro-phenylsulfamoyl)-2,3-dimethoxy-benzoic acid,
AC1M5IVP,
AC1Q47HU,
Oprea1_029150,
CTK6J4479,
ZINC3209303,
AKOS000121825,
MCULE-4757687329,
NE12247,
EN300-00482,
AB00776746-01,
SR-01000030190,
SR-01000030190-1,
Z56800466,
CID2329743,
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-benzoic Acid,
|
| Complexity | 537 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.336g/mol |
| Monoisotopic Mass | 355.053g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number