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3-Fluoro-5-(trifluoromethyl)benzonitrile

Catalog Number ACM149793691
CAS Number 149793-69-1
Structure
Synonyms 5-Fluoro-3-(trifluoroMethyl)
IUPAC Name 3-fluoro-5-(trifluoromethyl)benzonitrile
Molecular Weight 189.11
Molecular Formula C8H3F4N
Canonical SMILES C1=C(C=C(C=C1C(F)(F)F)F)C#N
InChI InChI=1S/C8H3F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
InChI Key AYNUKEDZAYOEGG-UHFFFAOYSA-N
Boiling Point 179.9±35.0 °C
Purity 98%+
Density 1.35 g/ml