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4,5-Dicyanoimidazole

Catalog Number
ACM1122287-1
CAS Number
1122-28-7
Product Name
4,5-Dicyanoimidazole
Structure
Category
Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks
IUPAC Name
1H-imidazole-4,5-dicarbonitrile
Molecular Weight
118.1g/mol
Molecular Formula
C5H2N4
Canonical SMILES
C1=NC(=C(N1)C#N)C#N
InChI
InChI=1S/C5H2N4/c6-1-4-5(2-7)9-3-8-4/h3H,(H,8,9)
InChI Key
XGDRLCRGKUCBQL-UHFFFAOYSA-N
Complexity
192
Covalently-Bonded Unit Count
1
EC Number
214-344-6
Exact Mass
118.027946g/mol
Formal Charge
0
Heavy Atom Count
9
MeSH Entry Terms
4,5-dicyanoimidazole
Monoisotopic Mass
118.027946g/mol
NSC Number
113954
Rotatable Bond Count
0
XLogP3
0.2
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