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CID 69928570

PubChem CID
69928570
Structure
CID 69928570_small.png
Molecular Formula
Status
Non-live
Molecular Weight
321.50 g/mol
Dates
  • Create:
    2012-12-01

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 69928570.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

copper;1,3-dimethyl-2H-imidazole;dibromide

2.1.2 InChI

InChI=1S/C5H10N2.2BrH.Cu/c1-6-3-4-7(2)5-6;;;/h3-4H,5H2,1-2H3;2*1H;/q;;;+2/p-2

2.1.3 InChIKey

UWGKCYVFANRSBA-UHFFFAOYSA-L

2.1.4 SMILES

CN1CN(C=C1)C.[Cu+2].[Br-].[Br-]

2.2 Molecular Formula

C5H10Br2CuN2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
321.50 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
320.84862 g/mol
Property Name
Monoisotopic Mass
Property Value
318.85067 g/mol
Property Name
Topological Polar Surface Area
Property Value
6.5 A^2
Property Name
Heavy Atom Count
Property Value
10
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
78.1
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
4
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS