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4-Aminophthalonitrile

Catalog Number
ACM56765798
CAS Number
56765-79-8
Product Name
4-Aminophthalonitrile
Structure
Category
Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks
IUPAC Name
4-aminobenzene-1,2-dicarbonitrile
Molecular Weight
143.15g/mol
Molecular Formula
C8H5N3
Canonical SMILES
C1=CC(=C(C=C1N)C#N)C#N
InChI
InChI=1S/C8H5N3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,11H2
InChI Key
RRCAJFYQXKPXOJ-UHFFFAOYSA-N
Complexity
228
Covalently-Bonded Unit Count
1
EC Number
260-370-6
Exact Mass
143.048347g/mol
Formal Charge
0
Heavy Atom Count
11
Monoisotopic Mass
143.048347g/mol
NSC Number
309814
Rotatable Bond Count
0
XLogP3
0.7
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