CAS 778-94-9 2-Nitro-4-(trifluoromethyl)benzonitrile

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2-Nitro-4-(trifluoromethyl)benzonitrile

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Catalog Number

ACM778949

CAS Number

778-94-9

Product Name

2-Nitro-4-(trifluoromethyl)benzonitrile

Structure

Category

CVD Precursors

IUPAC Name

2-nitro-4-(trifluoromethyl)benzonitrile

Molecular Weight

216.12g/mol

Molecular Formula

C8H3F3N2O2

Canonical SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H

InChI Key

BQCWLXXZTCLGSZ-UHFFFAOYSA-N

Complexity

301

Covalently-Bonded Unit Count

EC Number

212-298-1

Exact Mass

216.014662g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

216.014662g/mol

NSC Number

88323

Rotatable Bond Count

UNII

E6Z0MKD079

XLogP3

1.9

MSDS

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COA

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Spec Sheet

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