| CAS Number | 186665-89-4 |
| Catalog Number | AG01ALMA(AGN-PC-08XZGC) |
| Chemical Name | Ethyl 2,2-difluorocyclohexane-1-carboxylate |
| IUPAC Name | ethyl 2,2-difluorocyclohexane-1-carboxylate |
| InChI | InChI=1S/C9H14F2O2/c1-2-13-8(12)7-5-3-4-6-9(7,10)11/h7H,2-6H2,1H3 |
| InChI Key | VATHLMFXMIPDCA-UHFFFAOYSA-N |
| MDL Number | MFCD12922658 |
| Molecular Formula | C9H14F2O2 |
| Molecular Weight | 192.2031 |
| SMILES | CCOC(=O)C1CCCCC1(F)F |
| Synonyms | Ethyl 2,2-Difluorocyclohexanecarboxylate,
186665-89-4,
ethyl 2,2-difluorocyclohexane-1-carboxylate,
SCHEMBL2126027,
AKOS005259962,
2,2-Difluorocyclohexanecarboxylic acid ethyl ester,
Z1741969814,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.206g/mol |
| Monoisotopic Mass | 192.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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