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4'-Chloro-2-phenylacetophenone

CAT: 0024-sc-226859Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-226859Size:5 g
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CAS Number
1889-71-0

Chemical Information

4'-Chloro-2-phenylacetophenone
CAS Number1889-71-0
PubChem CID233840
IUPAC Name1-(4-chlorophenyl)-2-phenylethanone
Molecular FormulaC14H11ClO
Molecular Weight230.69
XLogP3.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity225
SMILES
C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H11ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
DXVALSKCLLBZEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Chloro-2-phenylacetophenone
CAS: 1889-71-0
CID: 233840
Formula: C14H11ClO
MW: 230.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.69
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass230.0498427
Monoisotopic Mass230.0498427
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity225
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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