| CAS Number | 1341830-84-9 |
| Catalog Number | AG019TLK |
| Chemical Name | 3-Chloro-5-(chlorosulfonyl)-4-methylbenzoic acid |
| IUPAC Name | 3-chloro-5-chlorosulfonyl-4-methylbenzoic acid |
| InChI | InChI=1S/C8H6Cl2O4S/c1-4-6(9)2-5(8(11)12)3-7(4)15(10,13)14/h2-3H,1H3,(H,11,12) |
| InChI Key | DBDYGJUVUJISSF-UHFFFAOYSA-N |
| MDL Number | MFCD16659673 |
| Molecular Formula | C8H6Cl2O4S |
| Molecular Weight | 269.1018 |
| SMILES | CC1=C(S(Cl)(=O)=O)C=C(C(O)=O)C=C1Cl |
| Synonyms | 3-Chloro-5-(chlorosulfonyl)-4-methylbenzoic acid,
1341830-84-9,
AKOS012496949,
ZINC100100620,
NE16038,
ACN-034645,
|
| 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