| CAS Number | 352708-56-6 |
| Catalog Number | AG01B8EE(AGN-PC-0RAP0Y) |
| Chemical Name | (3,5-Dimethylphenyl)methanesulfonyl chloride |
| IUPAC Name | (3,5-dimethylphenyl)methanesulfonyl chloride |
| InChI | InChI=1S/C9H11ClO2S/c1-7-3-8(2)5-9(4-7)6-13(10,11)12/h3-5H,6H2,1-2H3 |
| InChI Key | JNFNDSLOAAYOLX-UHFFFAOYSA-N |
| MDL Number | MFCD12403402 |
| Molecular Formula | C9H11ClO2S |
| Molecular Weight | 218.7004 |
| SMILES | CC1=CC(CS(Cl)(=O)=O)=CC(C)=C1 |
| Synonyms | (3,5-dimethylphenyl)methanesulfonyl chloride,
352708-56-6,
SCHEMBL8350393,
AKOS010259162,
ZINC103397130,
Benzenemethanesulfonyl chloride, 3,5-dimethyl-,
Mesitylenesulphonyl chloride,
773-64-8,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.695g/mol |
| Monoisotopic Mass | 218.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number