| CAS Number | 1249267-54-6 |
| Catalog Number | AG019RPE(AGN-PC-0WO2ON) |
| Chemical Name | 4-Methylcyclohexane-1-sulfonyl chloride |
| IUPAC Name | 4-methylcyclohexane-1-sulfonyl chloride |
| InChI | InChI=1S/C7H13ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,2-5H2,1H3 |
| InChI Key | BJYALKVVPOIVFB-UHFFFAOYSA-N |
| MDL Number | MFCD16671742 |
| Molecular Formula | C7H13ClO2S |
| Molecular Weight | 196.6949 |
| SMILES | CC1CCC(S(Cl)(=O)=O)CC1 |
| Synonyms | 4-methylcyclohexane-1-sulfonyl chloride,
1249267-54-6,
AC1Q2QSE,
SCHEMBL13973741,
AKOS006333694,
AKOS006333695,
AKOS011364988,
ZINC100647320,
EN300-90123,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.689g/mol |
| Monoisotopic Mass | 196.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number