HCID11089828

2-(2-Fluoro-4-chloro-5-isopropoxyphenyl)-4-methyl-5-trifluoromethylpyridazin-3-one

2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one

C15H13ClF4N2O2364.72 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1c(C(F)(F)F)cnn(-c2cc(OC(C)C)c(Cl)cc2F)c1=O
InChIKey: WCEVCASYBVMSFT-UHFFFAOYSA-N
分子式: C15H13ClF4N2O2
平均分子量: 364.72 g/mol
单同位素质量: 364.060168

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 41.9 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 3
重原子: 24
形式电荷: 0
复杂度: 562

ALIASES

名称与别名

共 6 条

2-(2-fluoro-4-chloro-5-isopropoxyphenyl)-4-methyl-5-trifluoromethylpyridazin-3-one2-[2-fluoro-4-chloro-5-isopropoxyphenyl]-4-methyl-5-trifluoromethylpyridazin-3-oneSCHEMBL4679803SCHEMBL314424372-(4-chloro-2-fluoro-5-isopropoxyphenyl)-4-methyl-5-trifluoromethylpyridazin-3-one2-[2-fluoro-4-chloro-5-isopropoxyphenyl]-4-methyl-5-trifluoromethyl-pyridazin-3-one

REACTIONS