| CAS Number | 1030709-48-8 |
| Catalog Number | AG019X68 |
| Chemical Name | 3-[(5-Chloro-2-fluorophenyl)sulfamoyl]-4-methylbenzoic acid |
| IUPAC Name | 3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4-methylbenzoic acid |
| InChI | InChI=1S/C14H11ClFNO4S/c1-8-2-3-9(14(18)19)6-13(8)22(20,21)17-12-7-10(15)4-5-11(12)16/h2-7,17H,1H3,(H,18,19) |
| InChI Key | NIJSESWVGUMMLX-UHFFFAOYSA-N |
| MDL Number | MFCD10595447 |
| Molecular Formula | C14H11ClFNO4S |
| Molecular Weight | 343.7578 |
| SMILES | CC1=C(S(NC2=C(F)C=CC(Cl)=C2)(=O)=O)C=C(C(O)=O)C=C1 |
| Synonyms | 3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4-methylbenzoic acid,
1030709-48-8,
AC1PEVOL,
AC1Q2EDG,
CTK6G8746,
ZINC36400897,
AKOS008060987,
MCULE-3550328910,
NE40987,
EN300-54154,
CID8823606,
3-[(5-chloro-2-fluoro-phenyl)sulfamoyl]-4-methyl-benzoic Acid,
|
| Complexity | 510 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.753g/mol |
| Monoisotopic Mass | 343.008g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number