| CAS Number | 1461714-73-7 |
| Catalog Number | AG01ABMN(AGN-PC-0WO627) |
| Chemical Name | (1-methylcyclohexyl)methanesulfonyl chloride |
| IUPAC Name | (1-methylcyclohexyl)methanesulfonyl chloride |
| InChI | InChI=1S/C8H15ClO2S/c1-8(7-12(9,10)11)5-3-2-4-6-8/h2-7H2,1H3 |
| InChI Key | WIDKNGWZMIHFST-UHFFFAOYSA-N |
| MDL Number | MFCD26407650 |
| Molecular Formula | C8H15ClO2S |
| Molecular Weight | 210.7215 |
| SMILES | CC1(CCCCC1)CS(Cl)(=O)=O |
| Synonyms | (1-methylcyclohexyl)methanesulfonyl chloride,
1461714-73-7,
ZINC97971475,
AKOS024082774,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.716g/mol |
| Monoisotopic Mass | 210.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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