Chem
J-GLOBAL ID:200907049667003147   Nikkaji number:J2.289.239H

4-(4-Butoxyphenylethynyl)-2-fluorophenyl isothiocyanate

4-(4-ブトキシフェニルエチニル)-2-フルオロフェニルイソチオシアナート
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C19H16FNOS
Molecular formula furigana: C19-H16-F-N-O-S
Molecular weight: 325.400
InChI: InChI=1S/C19H16FNOS/c1-2-3-12-22-17-9-6-15(7-10-17)4-5-16-8-11-19(21-14-23)18(20)13-16/h6-11,13H,2-3,12H2,1H3
InChI key: AIGVEAVMTYQLAG-UHFFFAOYSA-N
SMILES: CCCCOc1ccc(cc1)C#Cc1ccc(N=C=S)c(F)c1
Systematic name  (3):
  • 4-(4-ブトキシフェニルエチニル)-2-フルオロフェニルイソチオシアナート
  • 4-[2-(4-ブトキシフェニル)エチニル]-2-フルオロ-1-イソチオシアナトベンゼン
  • 4-[2-(4-butoxyphenyl)ethynyl]-2-fluoro-1-isothiocyanatobenzene
Other name (1):
  • 4-(4-Butoxyphenylethynyl)-2-fluorophenyl isothiocyanate
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