4-[2-(2-chlorophenyl)diazen-1-yl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

• ChemBase编号: 798198
• 分子式: C23H16ClN3O2
• 平均质量: 401.84504
• 单一同位素质量: 401.09310445
• SMILES: c1cc2c(cc1)c(c(c(c2)C(=O)Nc1ccccc1)O)N=Nc1c(cccc1)Cl
• Canonical SMILES: O=C(c1cc2ccccc2c(c1O)N=Nc1ccccc1Cl)Nc1ccccc1
• InChI: InChI=1S/C23H16ClN3O2/c24-19-12-6-7-13-20(19)26-27-21-17-11-5-4-8-15(17)14-18(22(21)28)23(29)25-16-9-2-1-3-10-16/h1-14,28H,(H,25,29)
• InChIKey: XNANGTRPTFPPPE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[2-(2-chlorophenyl)diazen-1-yl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
• IUPAC传统名: 4-[2-(2-chlorophenyl)diazen-1-yl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
• 别名: 4-((2-chlorophenyl)azo)-3-hydroxy-n-phenyl-2-Naphthalenecarboxamide

登记号

• CAS号: 6410-26-0

理论计算性质

• Acid pKa: 10.356316
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 6.7609744
• LogD (pH = 7.4): 6.7605057
• Log P: 6.7609806
• 摩尔折射率: 119.1464 cm^3
• 极化性: 44.182125 Å^3
• 极化表面积: 74.05 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 97%