| CAS Number | 1549804-53-6 |
| Catalog Number | AG01ACOU |
| Chemical Name | 4-(Difluoromethyl)Cyclohexan-1-One |
| IUPAC Name | 4-(difluoromethyl)cyclohexan-1-one |
| InChI | InChI=1S/C7H10F2O/c8-7(9)5-1-3-6(10)4-2-5/h5,7H,1-4H2 |
| InChI Key | UBAVCNQFDDBTHC-UHFFFAOYSA-N |
| MDL Number | MFCD26030950 |
| Molecular Formula | C7H10F2O |
| Molecular Weight | 148.1505 |
| SMILES | O=C1CCC(CC1)C(F)F |
| Synonyms | 4-(difluoromethyl)cyclohexan-1-one,
1549804-53-6,
AKOS021584228,
ZINC168738443,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.153g/mol |
| Monoisotopic Mass | 148.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number