| CAS Number | 33065-46-2 |
| Catalog Number | AG01B9P1 |
| Chemical Name | 3-(Chloromethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-(chloromethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C7H6Cl2O2S/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,5H2 |
| InChI Key | WWBINJHFPTVVII-UHFFFAOYSA-N |
| MDL Number | MFCD12031198 |
| Molecular Formula | C7H6Cl2O2S |
| Molecular Weight | 225.0923 |
| SMILES | ClCC1=CC(S(Cl)(=O)=O)=CC=C1 |
| Synonyms | 33065-46-2,
3-(chloromethyl)benzene-1-sulfonyl chloride,
3-(chloromethyl)benzenesulfonyl chloride,
SCHEMBL1598016,
MFCD12031198,
ZINC59523725,
AKOS000352238,
AS-37403,
BB 0259983,
|
| Complexity | 232 |
| 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 | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number