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2',4',5'-Trifluoroacetophenone

CAT: 0024-sc-225826Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-225826Size:1 g
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CAS Number
129322-83-4

Chemical Information

2',4',5'-Trifluoroacetophenone
CAS Number129322-83-4
PubChem CID594417
IUPAC Name1-(2,4,5-trifluorophenyl)ethanone
Molecular FormulaC8H5F3O
Molecular Weight174.12
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity183
SMILES
CC(=O)C1=CC(=C(C=C1F)F)F
InChI
InChI=1S/C8H5F3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
InChIKey
GVTLJUZWNNFHMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2',4',5'-Trifluoroacetophenone
CAS: 129322-83-4
CID: 594417
Formula: C8H5F3O
MW: 174.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.12
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass174.02924926
Monoisotopic Mass174.02924926
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity183
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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