| CAS Number | 1094238-17-1 |
| Catalog Number | AG01AH7V |
| Chemical Name | 2,6-dichloro-3-(ethanesulfonyl)benzoic acid |
| IUPAC Name | 2,6-dichloro-3-ethylsulfonylbenzoic acid |
| InChI | InChI=1S/C9H8Cl2O4S/c1-2-16(14,15)6-4-3-5(10)7(8(6)11)9(12)13/h3-4H,2H2,1H3,(H,12,13) |
| InChI Key | LVACAZDHNAULKK-UHFFFAOYSA-N |
| MDL Number | MFCD11179842 |
| Molecular Formula | C9H8Cl2O4S |
| Molecular Weight | 283.1284 |
| SMILES | CCS(C1=C(Cl)C(C(O)=O)=C(Cl)C=C1)(=O)=O |
| Synonyms | 2,6-dichloro-3-(ethanesulfonyl)benzoic acid,
1094238-17-1,
ZINC36893837,
AKOS008122246,
MCULE-2369442024,
NE42589,
EN300-73946,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.119g/mol |
| Monoisotopic Mass | 281.952g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number