CAS 52771-22-9 3-(Trifluoromethoxy)benzonitrile

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3-(Trifluoromethoxy)benzonitrile

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Catalog Number

ACM52771229-1

CAS Number

52771-22-9

Product Name

3-(Trifluoromethoxy)benzonitrile

Structure

Category

Oxides

Synonyms

3-Cyano-alpha,alpha,alpha-trifluoroanisole

IUPAC Name

3-(trifluoromethoxy)benzonitrile

Molecular Weight

187.12

Molecular Formula

C8H4F3NO

Canonical SMILES

C1=CC(=CC(=C1)OC(F)(F)F)C#N

InChI

InChI=1S/C8H4F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H

InChI Key

DCZAPXGEZYVQNX-UHFFFAOYSA-N

Boiling Point

101.5 °C

Purity

98%+

Density

1.31 g/ml

Complexity

217

Covalently-Bonded Unit Count

Exact Mass

187.024498g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

187.024498g/mol

Rotatable Bond Count

XLogP3

2.6

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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