| CAS Number | 1461715-46-7 |
| Catalog Number | AG01A6OF(AGN-PC-0WO6K1) |
| Chemical Name | (1-cyanocyclohexyl)methanesulfonyl chloride |
| IUPAC Name | (1-cyanocyclohexyl)methanesulfonyl chloride |
| InChI | InChI=1S/C8H12ClNO2S/c9-13(11,12)7-8(6-10)4-2-1-3-5-8/h1-5,7H2 |
| InChI Key | XHNFLTZGFSUUAJ-UHFFFAOYSA-N |
| MDL Number | MFCD25371854 |
| Molecular Formula | C8H12ClNO2S |
| Molecular Weight | 221.7044 |
| SMILES | ClS(CC1(C#N)CCCCC1)(=O)=O |
| Synonyms | (1-cyanocyclohexyl)methanesulfonyl chloride,
1461715-46-7,
ZINC97957428,
AKOS026728231,
FCH2346727,
NE37225,
EN300-133724,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.699g/mol |
| Monoisotopic Mass | 221.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number