bis[(5-bromo-2-methoxyphenyl)methylidene]hydrazine

• ChemBase编号: 110170
• 分子式: C16H14Br2N2O2
• 平均质量: 426.10256
• 单一同位素质量: 423.9422017
• SMILES: COc1ccc(Br)cc1/C=N/N=C/c1cc(Br)ccc1OC
• Canonical SMILES: COc1ccc(cc1/C=N/N=C/c1cc(Br)ccc1OC)Br
• InChI: InChI=1S/C16H14Br2N2O2/c1-21-15-5-3-13(17)7-11(15)9-19-20-10-12-8-14(18)4-6-16(12)22-2/h3-10H,1-2H3
• InChIKey: MVRYYCAVXIEBDR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis[(5-bromo-2-methoxyphenyl)methylidene]hydrazine
• IUPAC传统名: bis[(5-bromo-2-methoxyphenyl)methylidene]hydrazine
• 别名: 5,5'-DIBROMO-2,2'-DIMETHOXYBENZALDAZINE

登记号

• PubChem SID: 162106342
• PubChem CID: 9566469

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.662421
• LogD (pH = 7.4): 4.662421
• Log P: 4.662421
• 摩尔折射率: 95.9702 cm^3
• 极化性: 35.734314 Å^3
• 极化表面积: 43.18 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05213999

MP Biomedicals Rare Chemical collection