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CID 67601446

PubChem CID
67601446
Structure
CID 67601446_small.png
Molecular Formula
Status
Non-live
Molecular Weight
163.29 g/mol
Dates
  • Create:
    2012-11-30

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 67601446.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;1H-pyrazole;dichloride

2.1.2 InChI

InChI=1S/C3H4N2.2ClH.Mg/c1-2-4-5-3-1;;;/h1-3H,(H,4,5);2*1H;/q;;;+2/p-2

2.1.3 InChIKey

KFMXUKXCNFTNOH-UHFFFAOYSA-L

2.1.4 SMILES

C1=CNN=C1.[Mg+2].[Cl-].[Cl-]

2.2 Molecular Formula

C3H4Cl2MgN2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
163.29 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
161.9601952 g/mol
Property Name
Monoisotopic Mass
Property Value
161.9601952 g/mol
Property Name
Topological Polar Surface Area
Property Value
28.7 A^2
Property Name
Heavy Atom Count
Property Value
8
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
28.1
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