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Chloro(dichloromethyl)benzene - Compound Summary (CID 66624)

Depositor-Supplied Synonyms: (Total: 10)
Sort:
Chloro(dichloromethyl)benzene
alpha,alpha,ar-Trichlorotoluene
Benzene, chloro(dichloromethyl)-
Toluene, alpha,alpha,ar-trichloro-
1-Chloro-2-(dichloromethyl)benzene
EINECS 201-849-1
Benzene, 1-chloro-2-(dichloromethyl)-
LS-29470
88-66-4
98715-38-9


Properties Computed from Structure:
Molecular Weight195.4736 [g/mol]
Molecular FormulaC7H5Cl3
XLogP3-AA3.7
H-Bond Donor0
H-Bond Acceptor0
Rotatable Bond Count1
Exact Mass193.945683
MonoIsotopic Mass193.945683
Topological Polar Surface Area0
Heavy Atom Count10
Formal Charge0
Complexity103
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-2-(dichloromethyl)benzene
Canonical SMILES: C1=CC=C(C(=C1)C(Cl)Cl)Cl
InChI: InChI=1S/C7H5Cl3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H
InChIKey: BXSVYGKOUULJCL-UHFFFAOYSA-N


Compound Information:
CID 66624   
Create Date: 2005-07-19


Similar Compounds: 124 Links
Similar Conformers: 10815 Links    View Conformers


Substance Information:
Substances: 8 Links

Category: [for same structure substances]
Biological Properties: 2 Links
   DiscoveryGate ( 1 )
SID 8190603 - External ID: 66624
   LeadScope ( 1 )
SID 49879423 - External ID: LS-29470

Journal Publishers: 1 Link
   Thomson Pharma ( 1 )
SID 16167237 - External ID: 01410957

Physical Properties: 1 Link
   ChemExper Chemical Directory ( 1 )
SID 3140255 - External ID: HeT@p@bAbIbDfYV[hBB`@@

Substance Vendors: 3 Links
   ChemExper Chemical Directory ( 1 )
SID 3140255 - External ID: HeT@p@bAbIbDfYV[hBB`@@
   ChemSpider ( 2 )
SID 38524213 - External ID: 15832358
SID 43123312 - External ID: 59991

Toxicology: 2 Links
   ChemIDplus ( 2 )
SID 208711 - External ID: 000088664
SID 753002 - External ID: 098715389
     

2D

3D
Compound ID66624
Molecular Weight195.4736 [g/mol]
Molecular FormulaC7H5Cl3
XLogP3-AA3.7
H-Bond Donor0
H-Bond Acceptor0
  Links


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