8-bromonaphthalene-1-carbonyl 8-bromonaphthalene-1-carboxylate

• ChemBase编号: 80308
• 分子式: C22H12Br2O3
• 平均质量: 484.13688
• 单一同位素质量: 481.91531824
• SMILES: O(C(=O)c1cccc2cccc(c12)Br)C(=O)c1c2c(cccc2ccc1)Br
• Canonical SMILES: O=C(c1cccc2c1c(Br)ccc2)OC(=O)c1cccc2c1c(Br)ccc2
• InChI: InChI=1S/C22H12Br2O3/c23-17-11-3-7-13-5-1-9-15(19(13)17)21(25)27-22(26)16-10-2-6-14-8-4-12-18(24)20(14)16/h1-12H
• InChIKey: WWNFTCFXAULWOO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-bromonaphthalene-1-carbonyl 8-bromonaphthalene-1-carboxylate
• IUPAC传统名: 8-bromonaphthalene-1-carbonyl 8-bromonaphthalene-1-carboxylate
• 别名: 8-bromo-1-naphthoic anhydride

登记号

• MDL号: MFCD01313725
• PubChem SID: 162067428
• PubChem CID: 2776001

理论计算性质

• 质子供体: 0
• LogD (pH = 5.5): 7.3122883
• LogD (pH = 7.4): 7.3122883
• Log P: 7.3122883
• 摩尔折射率: 111.569 cm^3
• 极化性: 44.797745 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false
• 质子受体: 2