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3',4'-Dimethoxy-2,2,2-trifluoroacetophenone

CAT: 0024-sc-335912Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-335912Size:1 g
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CAS Number
300374-83-8

Chemical Information

3',4'-Dimethoxy-2,2,2-trifluoroacetophenone
CAS Number300374-83-8
PubChem CID2758493
IUPAC Name1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanone
Molecular FormulaC10H9F3O3
Molecular Weight234.17
XLogP2.9
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity252
SMILES
COC1=C(C=C(C=C1)C(=O)C(F)(F)F)OC
InChI
InChI=1S/C10H9F3O3/c1-15-7-4-3-6(5-8(7)16-2)9(14)10(11,12)13/h3-5H,1-2H3
InChIKey
YFISYXOGMSGFRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3',4'-Dimethoxy-2,2,2-trifluoroacetophenone
CAS: 300374-83-8
CID: 2758493
Formula: C10H9F3O3
MW: 234.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.17
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass234.05037863
Monoisotopic Mass234.05037863
Topological Polar Surface Area35.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity252
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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Alternative Products

CatalogName
PC7202D-012',3',4'-Trifluoroacetophenone
PC7250-014'-Methyl-2,2,2-trifluoroacetophenone
PC24994'-Butyl-2,2,2-trifluoroacetophenone
PC10234-014'-Amino-2,2,2-trifluoroacetophenone
PC9923-014'-Bromo-2,2,2-trifluoroacetophenone
PC53430-013'-Bromo-4'-iodo-2,2,2-trifluoroacetophenone
PC5020774'-Bromo-3'- (trifluoromethyl) -2,2,2-trifluoroacetophenone
433901-014’-Bromo-2,2,2-trifluoroacetophenone
PC31735-014'-Chloro-2,2,2-trifluoroacetophenone
PC53033-014'-Nitro-2,2,2-trifluoroacetophenone

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