| CAS Number | 82953-31-9 |
| Catalog Number | AG005EHL(AGN-PC-00O356) |
| Chemical Name | 4-Fluoro-4-methylcyclohexan-1-one |
| IUPAC Name | 4-fluoro-4-methylcyclohexan-1-one |
| InChI | InChI=1S/C7H11FO/c1-7(8)4-2-6(9)3-5-7/h2-5H2,1H3 |
| InChI Key | VNIIEUFELZJOQM-UHFFFAOYSA-N |
| MDL Number | MFCD14582335 |
| Molecular Formula | C7H11FO |
| Molecular Weight | 130.1600 |
| SMILES | CC1(CCC(=O)CC1)F |
| Synonyms | 4-Fluoro-4-methylcyclohexan-1-one,
82953-31-9,
Cyclohexanone, 4-fluoro-4-methyl-,
SCHEMBL15181868,
CTK3D5273,
DTXSID70550249,
AKOS024124350,
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| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.162g/mol |
| Monoisotopic Mass | 130.079g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number