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4-Iodophthalonitrile

Catalog Number
ACM69518178-2
CAS Number
69518-17-8
Product Name
4-Iodophthalonitrile
Structure
Category
Phthalocyanine Building Blocks
Synonyms
4-Iodobenzene-1,2-Dicarbonitrile
IUPAC Name
4-iodobenzene-1,2-dicarbonitrile
Molecular Weight
254.03
Molecular Formula
C8H3IN2
Canonical SMILES
C1=CC(=C(C=C1I)C#N)C#N
InChI
InChI=1S/C8H3IN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
InChI Key
OOHQHYJZUSXMFD-UHFFFAOYSA-N
Melting Point
140-142 °C-lit.
Purity
95%+
Appearance
Solid
Complexity
231
Covalently-Bonded Unit Count
1
Exact Mass
253.93409g/mol
Formal Charge
0
Heavy Atom Count
11
Monoisotopic Mass
253.93409g/mol
Rotatable Bond Count
0
XLogP3
2
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