2-(Difluoroacetyl)cyclohexanone - CAS 149894-28-0
Catalog: |
BB048835 |
Product Name: |
2-(Difluoroacetyl)cyclohexanone |
CAS: |
149894-28-0 |
Synonyms: |
2,2-difluoro-1-(2-oxocyclohexyl)ethan-1-one; 2-(2,2-difluoroacetyl)cyclohexan-1-one; 2-(Difluoroacetyl)cyclohexan-1-one; 2-(Difluoroacetyl)-1-cyclohexanone |
IUPAC Name: | 2-(2,2-difluoroacetyl)cyclohexan-1-one |
Description: | 2-(Difluoroacetyl)cyclohexanone (CAS# 149894-28-0 ) is a useful research chemical. |
Molecular Weight: | 176.16 |
Molecular Formula: | C8H10F2O2 |
Canonical SMILES: | C1CCC(=O)C(C1)C(=O)C(F)F |
InChI: | InChI=1S/C8H10F2O2/c9-8(10)7(12)5-3-1-2-4-6(5)11/h5,8H,1-4H2 |
InChI Key: | IFVACMSMOAHYOX-UHFFFAOYSA-N |
Boiling Point: | 250.6±40.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.06488588 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.06488588 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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