N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)(2,4,6-2H3)phenoxy]pyridine-3-carboxamide

• ChemBase编号: 167391
• 分子式: C19H11F5N2O2
• 平均质量: 394.294856
• 单一同位素质量: 394.0740687
• SMILES: c1cnc(c(c1)C(=O)Nc1c(cc(cc1)F)F)Oc1cccc(c1)C(F)(F)F
• Canonical SMILES: Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
• InChIKey: WYEHFWKAOXOVJD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)(2,4,6-^2H₃)phenoxy]pyridine-3-carboxamide
• IUPAC传统名: N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)(2,4,6-^2H₃)phenoxy]pyridine-3-carboxamide
• 别名: N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy-d3]-3-pyridinecarboxamide; Brodal-d3; Canyon-d3; Diflufenicanil-d3; FR 1078-d3; Kwarc-d3; Legato-d3; Diflufenican-d3

登记号

• PubChem SID: 162261524
• PubChem CID: 45039011

理论计算性质

• Acid pKa: 8.421474
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.1049557
• LogD (pH = 7.4): 5.068026
• Log P: 5.1054554
• 摩尔折射率: 92.3954 cm^3
• 极化性: 33.03682 Å^3
• 极化表面积: 51.22 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform
• 外观: White Solid
• 熔点: 161-162°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - D445642

Labelled Diflufenican (D445640). (Pre and post emergence foliar absorbed herbicide for winter weed control in cereal crops; carotenoid biosynthesis inhibitor.

参考文献

• Conte, E., et al.: J. Agric. Food Chem., 46, 4766 (1998)