1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-({5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl}methylidene)hydrazine

• ChemBase编号: 96526
• 分子式: C19H8Cl4F6N2O
• 平均质量: 536.0820392
• 单一同位素质量: 533.92949293
• SMILES: o1c(ccc1/C=N/Nc1c(cc(cc1Cl)C(F)(F)F)Cl)c1c(cc(cc1Cl)C(F)(F)F)Cl
• Canonical SMILES: Clc1cc(cc(c1N/N=C/c1ccc(o1)c1c(Cl)cc(cc1Cl)C(F)(F)F)Cl)C(F)(F)F
• InChI: InChI=1S/C19H8Cl4F6N2O/c20-11-3-8(18(24,25)26)4-12(21)16(11)15-2-1-10(32-15)7-30-31-17-13(22)5-9(6-14(17)23)19(27,28)29/h1-7,31H
• InChIKey: GRTJQRCTEXFQLA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-({5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl}methylidene)hydrazine
• IUPAC传统名: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-({5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl}methylidene)hydrazine
• 别名: 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-furaldehyde 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazone

登记号

• MDL号: MFCD00278533
• PubChem SID: 162083175
• PubChem CID: 9582339

理论计算性质

• Acid pKa: 12.62705
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 8.599943
• LogD (pH = 7.4): 8.599954
• Log P: 8.599961
• 摩尔折射率: 112.9509 cm^3
• 极化性: 41.635117 Å^3
• 极化表面积: 37.53 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false