| CAS Number | 1423024-38-7 |
| Catalog Number | AG01A2BJ |
| Chemical Name | 4-Chloro-3-(chlorosulfonyl)-5-methylbenzoic acid |
| IUPAC Name | 4-chloro-3-chlorosulfonyl-5-methylbenzoic acid |
| InChI | InChI=1S/C8H6Cl2O4S/c1-4-2-5(8(11)12)3-6(7(4)9)15(10,13)14/h2-3H,1H3,(H,11,12) |
| InChI Key | LNXKUHAQOFLUPW-UHFFFAOYSA-N |
| MDL Number | MFCD22578512 |
| Molecular Formula | C8H6Cl2O4S |
| Molecular Weight | 269.1018 |
| SMILES | CC1=C(Cl)C(S(Cl)(=O)=O)=CC(C(O)=O)=C1 |
| Synonyms | 4-chloro-3-(chlorosulfonyl)-5-methylbenzoic acid,
1423024-38-7,
CTK7I6678,
ZINC100461000,
NE16986,
4-CHLORO-3-CHLOROSULFONYL-5-METHYL-BENZOIC ACID,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.092g/mol |
| Monoisotopic Mass | 267.936g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number