| CAS Number | 1824322-83-9 |
| Catalog Number | AG01BK6N |
| Chemical Name | methyl 2-(chloromethyl)cyclohexane-1-carboxylate |
| IUPAC Name | methyl 2-(chloromethyl)cyclohexane-1-carboxylate |
| InChI | InChI=1S/C9H15ClO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h7-8H,2-6H2,1H3 |
| InChI Key | OLIXVSJKZAIFGZ-UHFFFAOYSA-N |
| MDL Number | MFCD24512149 |
| Molecular Formula | C9H15ClO2 |
| Molecular Weight | 190.6672 |
| SMILES | COC(C1C(CCl)CCCC1)=O |
| Synonyms | methyl 2-(chloromethyl)cyclohexane-1-carboxylate,
1824322-83-9,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.667g/mol |
| Monoisotopic Mass | 190.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number