| CAS Number | 1094404-69-9 |
| Catalog Number | AG019ZD5 |
| Chemical Name | 2,6-Dichloro-3-methanesulfonylbenzoic acid |
| IUPAC Name | 2,6-dichloro-3-methylsulfonylbenzoic acid |
| InChI | InChI=1S/C8H6Cl2O4S/c1-15(13,14)5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | VITRKRBYCVXXQP-UHFFFAOYSA-N |
| MDL Number | MFCD11179846 |
| Molecular Formula | C8H6Cl2O4S |
| Molecular Weight | 269.1018 |
| SMILES | CS(C1=C(Cl)C(C(O)=O)=C(Cl)C=C1)(=O)=O |
| Synonyms | 2,6-dichloro-3-methanesulfonylbenzoic acid,
1094404-69-9,
MFCD11179846,
ZINC36893844,
AKOS009306858,
MCULE-2340972744,
2,6-Dichloro-3-(methylsulfonyl)benzoic acid,
Z1695906913,
|
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number