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(2-Chlorophenyl) (2-methylphenyl) methanone

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CAS Number
4888-03-3
Smiles
C (=O) (c1c (C) cccc1) c1c (Cl) cccc1

Chemical Information

2-Chloro-2'-methylbenzophenone
CAS Number4888-03-3
PubChem CID10657121
IUPAC Name(2-chlorophenyl)-(2-methylphenyl)methanone
Molecular FormulaC14H11ClO
Molecular Weight230.69
XLogP4.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity251
SMILES
CC1=CC=CC=C1C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H11ClO/c1-10-6-2-3-7-11(10)14(16)12-8-4-5-9-13(12)15/h2-9H,1H3
InChIKey
UOBZEBGRMJZFRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-2'-methylbenzophenone
CAS: 4888-03-3
CID: 10657121
Formula: C14H11ClO
MW: 230.69
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight230.69
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass230.0498427
Monoisotopic Mass230.0498427
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity251
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