Chem
J-GLOBAL ID：200907083173095999
Nikkaji number：J2.031.561J
5-[1-(2,3′,5′-Trifluoro-1,1′-biphenyl-3-yl)-1-methylethyl]-2H-tetrazole
5-[1-(2,3′,5′-トリフルオロ-1,1′-ビフェニル-3-イル)-1-メチルエチル]-2H-テトラゾール
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
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
Molecular formula： C16H13F3N4
Molecular formula furigana： C16-H13-F3-N4
Molecular weight： 318.303
InChI：
InChI=1S/C16H13F3N4/c1-16(2,15-20-22-23-21-15)13-5-3-4-12(14(13)19)9-6-10(17)8-11(18)7-9/h3-8H,1-2H3,(H,20,21,22,23)
InChI key：
WVYKZOSZCJPYCZ-UHFFFAOYSA-N
SMILES：
CC(C)(c1nn[nH]n1)c1cccc(c2cc(F)cc(F)c2)c1F
Systematic name (3)：
- 5-[1-(2,3′,5′-トリフルオロ-1,1′-ビフェニル-3-イル)-1-メチルエチル]-2H-テトラゾール
- 5-(2-{2,3',5'-トリフルオロ-[1,1'-ビフェニル]-3-イル}プロパン-2-イル)-2H-1,2,3,4-テトラゾール
- 5-(2-{2,3',5'-trifluoro-[1,1'-biphenyl]-3-yl}propan-2-yl)-2H-1,2,3,4-tetrazole
- 5-[1-(2,3′,5′-Trifluoro-1,1′-biphenyl-3-yl)-1-methylethyl]-2H-tetrazole
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