| CAS Number | 380432-28-0 |
| Catalog Number | AG019GMD |
| Chemical Name | 3-(3,4-Dichlorobenzenesulfonamido)benzoic acid |
| IUPAC Name | 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid |
| InChI | InChI=1S/C13H9Cl2NO4S/c14-11-5-4-10(7-12(11)15)21(19,20)16-9-3-1-2-8(6-9)13(17)18/h1-7,16H,(H,17,18) |
| InChI Key | AKPAXFIVLVXWKY-UHFFFAOYSA-N |
| MDL Number | MFCD03150786 |
| Molecular Formula | C13H9Cl2NO4S |
| Molecular Weight | 346.1859 |
| SMILES | O=C(O)C1=CC=CC(NS(=O)(C2=CC=C(Cl)C(Cl)=C2)=O)=C1 |
| Synonyms | 3-(3,4-dichlorobenzenesulfonamido)benzoic acid,
380432-28-0,
3-(3,4-Dichloro-benzenesulfonylamino)-benzoic acid,
AC1M3AXI,
AC1Q73KJ,
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic Acid,
CTK7I8710,
ZINC2882165,
AKOS000115003,
MCULE-2885219786,
NE20749,
EN300-00537,
3-[(3,4-dichlorobenzene)sulfonamido]benzoic acid,
SR-01000297983,
SR-01000297983-1,
Z45636578,
CID2234493,
|
| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.178g/mol |
| Monoisotopic Mass | 344.963g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number