| CAS Number | 2044713-64-4 |
| Catalog Number | AG01BV32 |
| Chemical Name | METHYL 4-(CHLOROSULFONYL)CYCLOHEXANE-1-CARBOXYLATE |
| IUPAC Name | methyl 4-chlorosulfonylcyclohexane-1-carboxylate |
| InChI | InChI=1S/C8H13ClO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h6-7H,2-5H2,1H3 |
| InChI Key | BXUVNXCLQYDOCH-UHFFFAOYSA-N |
| MDL Number | MFCD30487795 |
| Molecular Formula | C8H13ClO4S |
| Molecular Weight | 240.7044 |
| SMILES | O=C(C1CCC(S(=O)(Cl)=O)CC1)OC |
| Synonyms | methyl 4-(chlorosulfonyl)cyclohexane-1-carboxylate,
2044713-64-4,
SCHEMBL1107205,
ZINC201333890,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.698g/mol |
| Monoisotopic Mass | 240.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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