(E)-[4-(benzyloxy)phenyl](phenyl)diazene

• ChemBase编号: 161756
• 分子式: C19H16N2O
• 平均质量: 288.34314
• 单一同位素质量: 288.12626314
• SMILES: c1cccc(c1)/N=N/c1ccc(cc1)OCc1ccccc1
• Canonical SMILES: c1ccc(cc1)COc1ccc(cc1)/N=N/c1ccccc1
• InChI: InChI=1S/C19H16N2O/c1-3-7-16(8-4-1)15-22-19-13-11-18(12-14-19)21-20-17-9-5-2-6-10-17/h1-14H,15H2/b21-20+
• InChIKey: SDKQJMOEGSAXET-QZQOTICOSA-N

名称和登记号

名称

• IUPAC标准名: (E)-[4-(benzyloxy)phenyl](phenyl)diazene
• IUPAC传统名: (E)-[4-(benzyloxy)phenyl](phenyl)diazene
• 别名: Phenyl[4-(phenylmethoxy)phenyl]diazene; p-Benzyloxyazobenzene; 1-Phenyl-2-[4-(phenylmethoxy)phenyl]diazene; 4-Benzyloxyazobenzene

登记号

• CAS号: 75365-76-3
• PubChem SID: 162255891
• PubChem CID: 13840487

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.945935
• LogD (pH = 7.4): 5.9459414
• Log P: 5.9459414
• 摩尔折射率: 91.4528 cm^3
• 极化性: 33.707397 Å^3
• 极化表面积: 33.95 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - B286140

Intermediate in the preparation of Oxyphenbutazone.