CAS 69518-17-8 4-Iodophthalonitrile - Materials / Alfa Chemistry

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4-Iodophthalonitrile

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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

Exact Mass

253.93409g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

253.93409g/mol

Rotatable Bond Count

XLogP3

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