2-[2,5-dibromo-4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile

• ChemBase编号: 78548
• 分子式: C12H2Br2N4
• 平均质量: 361.97908
• 单一同位素质量: 359.86462008
• SMILES: N#CC(=c1c(cc(=C(C#N)C#N)c(c1)Br)Br)C#N
• Canonical SMILES: N#CC(=c1cc(Br)c(=C(C#N)C#N)cc1Br)C#N
• InChI: InChI=1S/C12H2Br2N4/c13-11-1-9(7(3-15)4-16)12(14)2-10(11)8(5-17)6-18/h1-2H
• InChIKey: OJFNHXWMRQGERY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[2,5-dibromo-4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
• IUPAC传统名: 2-[2,5-dibromo-4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
• 别名: 2,2'-(2,5-Dibromocyclohexa-2,5-diene-1,4-diylidene)dimalononitrile

登记号

• MDL号: MFCD08741418
• PubChem SID: 162043311
• PubChem CID: 5257218

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.5504824
• LogD (pH = 7.4): 1.5504824
• Log P: 1.5504824
• 摩尔折射率: 76.2568 cm^3
• 极化性: 26.329731 Å^3
• 极化表面积: 95.16 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true