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4'-Chloro-3-Phenylpropiophenone

CAT: 0127-OR1011501Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
5739-37-7
MDL Number
MFCD03842928
Purity
97%
Smiles
O=C(C1=CC=C(Cl)C=C1)CCC2=CC=CC=C2

Chemical Information

4'-Chloro-3-phenylpropiophenone
CAS Number5739-37-7
PubChem CID247344
IUPAC Name1-(4-chlorophenyl)-3-phenylpropan-1-one
Molecular FormulaC15H13ClO
Molecular Weight244.71
XLogP4.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity237
SMILES
C1=CC=C(C=C1)CCC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H13ClO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKey
GQNOPFDKLUGQEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Chloro-3-phenylpropiophenone
CAS: 5739-37-7
CID: 247344
Formula: C15H13ClO
MW: 244.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.71
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass244.0654927
Monoisotopic Mass244.0654927
Topological Polar Surface Area17.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity237
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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