4-chloro-2-(3,5-dichlorophenyl)-5-(1-methylhydrazin-1-yl)-2,3-dihydropyridazin-3-one

• ChemBase编号: 79261
• 分子式: C11H9Cl3N4O
• 平均质量: 319.57436
• 单一同位素质量: 317.98419397
• SMILES: n1(c2cc(cc(c2)Cl)Cl)c(=O)c(c(cn1)N(N)C)Cl
• Canonical SMILES: Clc1cc(Cl)cc(c1)n1ncc(c(c1=O)Cl)N(N)C
• InChI: InChI=1S/C11H9Cl3N4O/c1-17(15)9-5-16-18(11(19)10(9)14)8-3-6(12)2-7(13)4-8/h2-5H,15H2,1H3
• InChIKey: HJIICKHXJVAJIT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-chloro-2-(3,5-dichlorophenyl)-5-(1-methylhydrazin-1-yl)-2,3-dihydropyridazin-3-one
• IUPAC传统名: 4-chloro-2-(3,5-dichlorophenyl)-5-(1-methylhydrazin-1-yl)pyridazin-3-one
• 别名: 4-chloro-2-(3,5-dichlorophenyl)-5-(1-methylhydrazino)-2,3-dihydropyridazin-3-one

登记号

• CAS号: 175135-84-9
• MDL号: MFCD00052035
• PubChem SID: 162044024
• PubChem CID: 2774905

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.9223123
• LogD (pH = 7.4): 2.0687435
• Log P: 2.0709703
• 摩尔折射率: 77.9197 cm^3
• 极化性: 28.79186 Å^3
• 极化表面积: 61.93 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 97%