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4-Nitrophthalonitrile

Catalog Number
ACM31643499-1
Product Name
4-Nitrophthalonitrile
Structure
CAS
31643-49-9
Category
Phthalonitriles & Naphthalonitriles
IUPAC Name
4-nitrobenzene-1,2-dicarbonitrile
Molecular Weight
173.13g/mol
Molecular Formula
C8H3N3O2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C#N)C#N
InChI
InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H
InChIKey
NTZMSBAAHBICLE-UHFFFAOYSA-N
EC Number
250-748-9
NSC Number
123374
Status
0
Complexity
302
Formal Charge
0
Exact Mass
173.022526g/mol
Monoisotopic Mass
173.022526g/mol
XLogP3
1.2
Covalently-Bonded Unit Count
1
Heavy Atom Count
13
Rotatable Bond Count
0
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