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结构：Cc1c(C(F)(F)F)cnn(-c2cc(OC(C)C)c(Cl)cc2F)c1=O
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 Ų
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

参与反应

16 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂
HRID157065

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为生成物
HRID 157065 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看条件与参与物