CAS 31643-49-9 4-Nitrophthalonitrile - Materials / Alfa Chemistry

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4-Nitrophthalonitrile

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Catalog Number

ACM31643499-1

CAS Number

31643-49-9

Product Name

4-Nitrophthalonitrile

Structure

Category

Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks

IUPAC Name

4-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/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H

InChI Key

NTZMSBAAHBICLE-UHFFFAOYSA-N

Complexity

302

Covalently-Bonded Unit Count

EC Number

250-748-9

Exact Mass

173.022526g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

173.022526g/mol

NSC Number

123374

Rotatable Bond Count

XLogP3

1.2

MSDS

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COA

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Spec Sheet

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