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4- (2,2-Difluoroethoxy) acetophenone

CAT: 0127-PC500946Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1179184-50-9
MDL Number
MFCD12807537
Purity
=95%
Smiles
CC(=O)c1ccc(OCC(F)F)cc1

Chemical Information

4-(2,2-Difluoroethoxy)acetophenone
CAS Number1179184-50-9
PubChem CID58629057
IUPAC Name1-[4-(2,2-difluoroethoxy)phenyl]ethanone
Molecular FormulaC10H10F2O2
Molecular Weight200.18
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity187
SMILES
CC(=O)C1=CC=C(C=C1)OCC(F)F
InChI
InChI=1S/C10H10F2O2/c1-7(13)8-2-4-9(5-3-8)14-6-10(11)12/h2-5,10H,6H2,1H3
InChIKey
QEPTZYTZSSOSKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,2-Difluoroethoxy)acetophenone
CAS: 1179184-50-9
CID: 58629057
Formula: C10H10F2O2
MW: 200.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.18
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass200.06488588
Monoisotopic Mass200.06488588
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity187
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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