[(2,6-dichlorophenyl)methylidene]amino 2,5-dichloropyridine-3-carboxylate

• ChemBase编号: 86848
• 分子式: C13H6Cl4N2O2
• 平均质量: 364.01094
• 单一同位素质量: 361.91833816
• SMILES: n1c(c(cc(c1)Cl)C(=O)O/N=C/c1c(cccc1Cl)Cl)Cl
• Canonical SMILES: Clc1cnc(c(c1)C(=O)O/N=C/c1c(Cl)cccc1Cl)Cl
• InChI: InChI=1S/C13H6Cl4N2O2/c14-7-4-8(12(17)18-5-7)13(20)21-19-6-9-10(15)2-1-3-11(9)16/h1-6H
• InChIKey: LAJYKIOENYHLFF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(2,6-dichlorophenyl)methylidene]amino 2,5-dichloropyridine-3-carboxylate
• IUPAC传统名: [(2,6-dichlorophenyl)methylidene]amino 2,5-dichloropyridine-3-carboxylate
• 别名: 2,5-dichloro-3-[({[(2,6-dichlorophenyl)methylene]amino}oxy)carbonyl]pyridine

登记号

• MDL号: MFCD00833284
• PubChem SID: 162073964
• PubChem CID: 9583185

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.3109784
• LogD (pH = 7.4): 5.310979
• Log P: 5.310979
• 摩尔折射率: 84.4093 cm^3
• 极化性: 31.966574 Å^3
• 极化表面积: 51.55 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false