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3-(Trifluoromethoxy)benzonitrile, 98%

Catalog Number
ACM52771229
Product Name
3-(Trifluoromethoxy)benzonitrile, 98%
Structure
CAS
52771-22-9
Category
Other Glass and Ceramic Materials
IUPAC Name
3-(trifluoromethoxy)benzonitrile
Molecular Weight
187.12g/mol
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
Complexity
217
Covalently-Bonded Unit Count
1
Exact Mass
187.024498g/mol
Formal Charge
0
Heavy Atom Count
13
Monoisotopic Mass
187.024498g/mol
Rotatable Bond Count
1
XLogP3
2.6
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