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3',5'-Difluoro-4'-methoxypropiophenone

CAT: 0127-PC2848Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
71292-82-5
Synonyms
1- (3,5-Difluoro-4-methoxyphenyl) propan-1-one, 2,6-Difluoro-4-propanoylanisole
MDL Number
MFCD00042509
Purity
97%
Smiles
CCC(=O)c1cc(F)c(OC)c(F)c1

Chemical Information

1-(3,5-Difluoro-4-methoxyphenyl)propan-1-one
CAS Number71292-82-5
PubChem CID2737020
IUPAC Name1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
Molecular FormulaC10H10F2O2
Molecular Weight200.18
XLogP2.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity196
SMILES
CCC(=O)C1=CC(=C(C(=C1)F)OC)F
InChI
InChI=1S/C10H10F2O2/c1-3-9(13)6-4-7(11)10(14-2)8(12)5-6/h4-5H,3H2,1-2H3
InChIKey
KTBXQCVNEFDUCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,5-Difluoro-4-methoxyphenyl)propan-1-one
CAS: 71292-82-5
CID: 2737020
Formula: C10H10F2O2
MW: 200.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.18
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass200.06488588
Monoisotopic Mass200.06488588
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity196
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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