苯,4-氟-1-异硫氰基-2-(三氟甲基)-

CAS号
87582-49-8
CCD编号
CCD00239847
分子式
C21 H15 Cl N5 . I
分子量
499.737

基本信息

产品名称: 苯,4-氟-1-异硫氰基-2-(三氟甲基)-
CAS: 87582-49-8
中文同义词: 苯,4-氟-1-异硫氰基-2-(三氟甲基)-
英文同义词: 2H-TETRAZOLIUM, 3-(4-CHLOROPHENYL)-5-(1H-INDOL-3-YL)-2-PHENYL-, IODIDE
MDL号: MFCD01682489
氢键受体数量: 5
氢键供体数量: 1
Smile: c1ccc(cc1)n2nc(n[n+]2c3ccc(cc3)Cl)c4c[nH]c5c4cccc5.[I-]
InChi: InChI=1S/C21H15ClN5.HI/c22-15-10-12-17(13-11-15)27-25-21(24-26(27)16-6-2-1-3-7-16)19-14-23-20-9-5-4-8-18(19)20;/h1-14,23H;1H/q+1;/p-1
InChiKey: InChIKey=OEDJKESUZQKZCW-UHFFFAOYSA-M

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