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3-Nitrophthalonitrile

Catalog Number
ACM51762675
Product Name
3-Nitrophthalonitrile
Structure
CAS
51762-67-5
Category
Phthalonitriles & Naphthalonitriles
IUPAC Name
3-nitrobenzene-1,2-dicarbonitrile
Molecular Weight
173.13g/mol
Molecular Formula
C8H3N3O2
Canonical SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)C#N
InChI
InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H
InChI Key
UZJZIZFCQFZDHP-UHFFFAOYSA-N
Purity
>98.0%(GC)
Complexity
302
Covalently-Bonded Unit Count
1
EC Number
450-650-8;610-727-0
Exact Mass
173.022526g/mol
Formal Charge
0
Heavy Atom Count
13
Monoisotopic Mass
173.022526g/mol
Rotatable Bond Count
0
XLogP3
0.7
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