| CAS Number | 884990-87-8 |
| Catalog Number | AG01E7HM(AGN-PC-0WCW2M) |
| Chemical Name | 4-chloro-3-[(2-methylphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-chloro-3-[(2-methylphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H12ClNO4S/c1-9-4-2-3-5-12(9)16-21(19,20)13-8-10(14(17)18)6-7-11(13)15/h2-8,16H,1H3,(H,17,18) |
| InChI Key | CTPZLZGKFXJXTR-UHFFFAOYSA-N |
| MDL Number | MFCD05815565 |
| Molecular Formula | C14H12ClNO4S |
| Molecular Weight | 325.7674 |
| SMILES | CC1=C(NS(C2=C(Cl)C=CC(C(O)=O)=C2)(=O)=O)C=CC=C1 |
| Synonyms | 4-chloro-3-[(2-methylphenyl)sulfamoyl]benzoic Acid,
884990-87-8,
AC1LJ37P,
ZINC582544,
ALBB-029459,
ZX-AN080272,
BBL019863,
MFCD05815565,
STL255132,
AKOS000377536,
MCULE-1648141036,
4-Chloro-3-{[(2-methylphenyl)amino]sulfonyl}benzoic acid,
benzoic acid, 4-chloro-3-[[(2-methylphenyl)amino]sulfonyl]-,
CID967573,
H1492,
|
| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.763g/mol |
| Monoisotopic Mass | 325.018g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number