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2- (3,4-Difluorophenyl) -4'-methoxyacetophenone

CAT: 0127-PC421002Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
221179-71-1
MDL Number
MFCD12974696
Purity
=95%
Smiles
COc1ccc(cc1)C(=O)Cc2ccc(F)c(F)c2

Chemical Information

2-(3,4-Difluorophenyl)-1-(4-methoxyphenyl)ethanone
CAS Number221179-71-1
PubChem CID79021918
IUPAC Name2-(3,4-difluorophenyl)-1-(4-methoxyphenyl)ethanone
Molecular FormulaC15H12F2O2
Molecular Weight262.25
XLogP3.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity301
SMILES
COC1=CC=C(C=C1)C(=O)CC2=CC(=C(C=C2)F)F
InChI
InChI=1S/C15H12F2O2/c1-19-12-5-3-11(4-6-12)15(18)9-10-2-7-13(16)14(17)8-10/h2-8H,9H2,1H3
InChIKey
UYHZUQFBVHICAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Difluorophenyl)-1-(4-methoxyphenyl)ethanone
CAS: 221179-71-1
CID: 79021918
Formula: C15H12F2O2
MW: 262.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.25
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass262.08053595
Monoisotopic Mass262.08053595
Topological Polar Surface Area26.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity301
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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