HCID86685450

2-Methyl-4-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)benzoic acid

2-methyl-4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzoic acid

C18H11Cl3F3NO3452.6 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)O
InChIKey: WGRZSXRRSKXNBV-UHFFFAOYSA-N
分子式: C18H11Cl3F3NO3
平均分子量: 452.6 g/mol
单同位素质量: 450.975661

COMPUTED

结构计算性质

已同步

XLogP: 6
极性表面积: 58.9 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 3
重原子: 28
形式电荷: 0
复杂度: 635

ALIASES

名称与别名

共 9 条

2-methyl-4-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)benzoic acid1332697-27-42-Methyl-4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]benzoic AcidSCHEMBL14723352SY521883H52549F5678122-methyl-4-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-isoxazol-3-yl)benzoic acid4-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoic acid

REACTIONS