| CAS Number | 327092-97-7 |
| Catalog Number | AG019GJB |
| Chemical Name | 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoic Acid |
| IUPAC Name | 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C13H8Cl3NO4S/c14-8-2-4-9(15)11(6-8)17-22(20,21)12-5-7(13(18)19)1-3-10(12)16/h1-6,17H,(H,18,19) |
| InChI Key | UUYRUEZVHAGNDD-UHFFFAOYSA-N |
| MDL Number | MFCD02708233 |
| Molecular Formula | C13H8Cl3NO4S |
| Molecular Weight | 380.6309 |
| SMILES | OC(C1=CC(S(NC2=C(Cl)C=CC(Cl)=C2)(=O)=O)=C(Cl)C=C1)=O |
| Synonyms | 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoic Acid,
327092-97-7,
4-Chloro-3-(2,5-dichloro-phenylsulfamoyl)-benzoic acid,
AC1MX5QX,
AC1Q738A,
CTK6G8747,
ZINC20255014,
AKOS000114701,
NE12231,
EN300-00345,
Z45633763,
CID3810386,
|
| Complexity | 510 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 378.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 380.62g/mol |
| Monoisotopic Mass | 378.924g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number