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

CAT: 0127-PC421006Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1507249-35-5
MDL Number
MFCD24968600
Purity
=95%
Smiles
Fc1ccc(cc1)C(=O)Cc2ccc(F)c(F)c2

Chemical Information

2-(3,4-Difluorophenyl)-1-(4-fluorophenyl)ethanone
CAS Number1507249-35-5
PubChem CID80371796
IUPAC Name2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethanone
Molecular FormulaC14H9F3O
Molecular Weight250.21
XLogP3.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity287
SMILES
C1=CC(=CC=C1C(=O)CC2=CC(=C(C=C2)F)F)F
InChI
InChI=1S/C14H9F3O/c15-11-4-2-10(3-5-11)14(18)8-9-1-6-12(16)13(17)7-9/h1-7H,8H2
InChIKey
PCCJXDXDWCFLNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Difluorophenyl)-1-(4-fluorophenyl)ethanone
CAS: 1507249-35-5
CID: 80371796
Formula: C14H9F3O
MW: 250.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.21
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass250.06054939
Monoisotopic Mass250.06054939
Topological Polar Surface Area17.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity287
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
sc-2390034'-Fluoroacetophenone
464016574-Fluoroacetophenone
TRC-F587060-25G4’-Fluoroacetophenone
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GTR19252671-013-Chloro-4-fluoroacetophenone
sc-2235753'-Bromo-4'-fluoroacetophenone
sc-2678444'-Chloro-3'-fluoroacetophenone
sc-2765773'-Chloro-4'-fluoroacetophenone
sc-4967654′-Fluoroacetophenone-d4
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