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Bis(4'-chlorophenyl)methane - Substance Summary (SID 8867)


Data Source:   
Depositor: KEGG
External ID: C06641

Depositor-Supplied Synonyms: (Total: 4)
Sort:
Bis(4'-chlorophenyl)methane
C06641
DDM
101-76-8


Properties Computed from Structure:
Molecular Weight237.1245 [g/mol]
Molecular FormulaC13H10Cl2
XLogP34.9
H-Bond Donor0
H-Bond Acceptor0
Rotatable Bond Count2
Exact Mass236.015956
MonoIsotopic Mass236.015956
Topological Polar Surface Area0
Heavy Atom Count15
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 1-chloro-4-[(4-chlorophenyl)methyl]benzene
Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)Cl)Cl
InChI: InChI=1S/C13H10Cl2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2
InChIKey: LQGSWLJZAKVBJH-UHFFFAOYSA-N


Substance Information:
SID 8867   
Deposit Date: 2005-06-24
Modify Date: 2008-09-10

CID 7576   
Create Date: 2005-03-26

Related Substances:
Same: 18 Links

Similar Substances: 2127 Links


Depositor-Supplied Comments:
CAS: 101-76-8
ChEBI: 28763
3DMET: B01010
Is a reactant or product of enzyme EC 4.1.1.-
     
Compound Displayed

2D

3D
Compound ID7576
Molecular Weight237.1245 [g/mol]
Molecular FormulaC13H10Cl2
XLogP34.9
H-Bond Donor0
H-Bond Acceptor0


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