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2-Chlorobenzophenone

CAT: 0926-FC38098-04Size: 10 KgDry Ice: NoHazardous: No
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CAT#:0926-FC38098-04Size:10 Kg
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CAS Number
5162-03-8
MDL Number
MFCD00000558
Smiles
Clc1ccccc1C (=O) c2ccccc2
Molecular Formula
C13H9ClO
Molecular Weight
216.66 g/mol
Controlled
No

Chemical Information

Methanone, (2-chlorophenyl)phenyl-

2-Chlorobenzophenone is a member of benzophenones.

CAS Number5162-03-8
PubChem CID78838
IUPAC Name(2-chlorophenyl)-phenylmethanone
Molecular FormulaC13H9ClO
Molecular Weight216.66
XLogP4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity221
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C13H9ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H
InChIKey
VMHYWKBKHMYRNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methanone, (2-chlorophenyl)phenyl-
CAS: 5162-03-8
CID: 78838
Formula: C13H9ClO
MW: 216.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.66
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass216.0341926
Monoisotopic Mass216.0341926
Topological Polar Surface Area17.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity221
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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