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CID 66870973

PubChem CID
66870973
Structure
CID 66870973_small.png
Molecular Formula
Status
Non-live
Molecular Weight
367.5 g/mol
Dates
  • Create:
    2012-11-30

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 66870973.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-ethyl-3-methyl-2H-imidazole;fluoroboronic acid

2.1.2 InChI

InChI=1S/C6H12N2.4BFH2O2/c1-3-8-5-4-7(2)6-8;4*2-1(3)4/h4-5H,3,6H2,1-2H3;4*3-4H

2.1.3 InChIKey

BUGNHVBGUAVDFI-UHFFFAOYSA-N

2.1.4 SMILES

B(O)(O)F.B(O)(O)F.B(O)(O)F.B(O)(O)F.CCN1CN(C=C1)C

2.2 Molecular Formula

C6H20B4F4N2O8

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
367.5 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
8
Property Name
Hydrogen Bond Acceptor Count
Property Value
14
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
368.1527989 g/mol
Property Name
Monoisotopic Mass
Property Value
368.1527989 g/mol
Property Name
Topological Polar Surface Area
Property Value
168 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
112
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