| CAS Number | 1191545-47-7 |
| Catalog Number | AG01A4HR |
| Chemical Name | 2-Chloro-3-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 2-chloro-3-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H6Cl2O2S/c1-5-3-2-4-6(7(5)8)12(9,10)11/h2-4H,1H3 |
| InChI Key | IAKXJOYJKYIHFR-UHFFFAOYSA-N |
| MDL Number | MFCD18393672 |
| Molecular Formula | C7H6Cl2O2S |
| Molecular Weight | 225.0923 |
| SMILES | CC1=C(Cl)C(S(Cl)(=O)=O)=CC=C1 |
| Synonyms | 2-chloro-3-methylbenzene-1-sulfonyl chloride,
1191545-47-7,
SCHEMBL1833873,
ZINC59654417,
AKOS006335450,
NE34355,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.083g/mol |
| Monoisotopic Mass | 223.947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number