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1,2-Naphthalenedicarbonitrile

Catalog Number
ACM19291760-1
CAS Number
19291-76-0
Product Name
1,2-Naphthalenedicarbonitrile
Structure
Category
Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks
IUPAC Name
naphthalene-1,2-dicarbonitrile
Molecular Weight
178.19g/mol
Molecular Formula
C12H6N2
Canonical SMILES
C1=CC=C2C(=C1)C=CC(=C2C#N)C#N
InChI
InChI=1S/C12H6N2/c13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14/h1-6H
InChI Key
ZNPWYAMBOPRTHW-UHFFFAOYSA-N
Complexity
303
Covalently-Bonded Unit Count
1
Exact Mass
178.053098g/mol
Formal Charge
0
Heavy Atom Count
14
Monoisotopic Mass
178.053098g/mol
NSC Number
509740
Rotatable Bond Count
0
XLogP3
2.6
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