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1- (2-Fluorophenyl) -2- (4-fluorophenyl) ethanone

CAT: 0926-JXB75466-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-JXB75466-01Size:100 mg
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CAS Number
1184754-66-2
MDL Number
MFCD16350605
Smiles
C1=CC=C (C (=C1) C (=O) CC2=CC=C (C=C2) F) F
Molecular Formula
C14H10F2O
Molecular Weight
232.22 g/mol
Controlled
No

Chemical Information

1-(2-Fluorophenyl)-2-(4-fluorophenyl)ethanone
CAS Number1184754-66-2
PubChem CID55134514
IUPAC Name1-(2-fluorophenyl)-2-(4-fluorophenyl)ethanone
Molecular FormulaC14H10F2O
Molecular Weight232.22
XLogP3.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity259
SMILES
C1=CC=C(C(=C1)C(=O)CC2=CC=C(C=C2)F)F
InChI
InChI=1S/C14H10F2O/c15-11-7-5-10(6-8-11)9-14(17)12-3-1-2-4-13(12)16/h1-8H,9H2
InChIKey
GRPFFDFOPCXQEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Fluorophenyl)-2-(4-fluorophenyl)ethanone
CAS: 1184754-66-2
CID: 55134514
Formula: C14H10F2O
MW: 232.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight232.22
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass232.06997126
Monoisotopic Mass232.06997126
Topological Polar Surface Area17.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity259
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