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CID 19861970

PubChem CID
19861970
Structure
CID 19861970_small.png
Molecular Formula
Status
Non-live
Molecular Weight
236.0 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 19861970.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

toluene;dichloride;dihydrochloride

2.1.2 InChI

InChI=1S/C7H8.4ClH/c1-7-5-3-2-4-6-7;;;;/h2-6H,1H3;4*1H/p-2

2.1.3 InChIKey

AIPCVCLDLXEATR-UHFFFAOYSA-L

2.1.4 SMILES

CC1=CC=CC=C1.Cl.Cl.[Cl-].[Cl-]

2.2 Molecular Formula

C7H10Cl4-2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
236.0 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
235.950711 g/mol
Property Name
Monoisotopic Mass
Property Value
233.953661 g/mol
Property Name
Topological Polar Surface Area
Property Value
0A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
42
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
5
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS