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2-Chloro-4'-fluorobenzophenone

CAT: 0127-PC1863G-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1863G-01Size:250 mg
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CAS Number
1806-23-1
MDL Number
MFCD00000559
Purity
96%
Smiles
Fc1ccc(cc1)C(=O)c2ccccc2Cl

Chemical Information

2-Chloro-4'-fluorobenzophenone
CAS Number1806-23-1
PubChem CID74547
IUPAC Name(2-chlorophenyl)-(4-fluorophenyl)methanone
Molecular FormulaC13H8ClFO
Molecular Weight234.65
XLogP3.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity248
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)Cl
InChI
InChI=1S/C13H8ClFO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8H
InChIKey
DODIKYQYCCFWRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-4'-fluorobenzophenone
CAS: 1806-23-1
CID: 74547
Formula: C13H8ClFO
MW: 234.65
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.65
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass234.0247707
Monoisotopic Mass234.0247707
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity248
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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