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Diphenylacetyl chloride

CAT: 0024-sc-227923Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-227923Size:5 g
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CAS Number
1871-76-7

Chemical Information

2,2-Diphenylacetyl chloride
CAS Number1871-76-7
PubChem CID74637
IUPAC Name2,2-diphenylacetyl chloride
Molecular FormulaC14H11ClO
Molecular Weight230.69
XLogP4.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity209
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)Cl
InChI
InChI=1S/C14H11ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKey
MSYLETHDEIJMAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Diphenylacetyl chloride
CAS: 1871-76-7
CID: 74637
Formula: C14H11ClO
MW: 230.69
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight230.69
XLogP34.1
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
Complexity209
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