HCID66689945

methyl 3-(3,5-dibromo-2-oxo-1(2H)-pyrazinyl)-5-fluoro-4-methylbenzoate

methyl 3-(3,5-dibromo-2-oxopyrazin-1-yl)-5-fluoro-4-methylbenzoate

C13H9Br2FN2O3420.03 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(F)c(C)c(-n2cc(Br)nc(Br)c2=O)c1
InChIKey: PKNKEWMWENFXLI-UHFFFAOYSA-N
分子式: C13H9Br2FN2O3
平均分子量: 420.03 g/mol
单同位素质量: 417.8964

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 59 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 3
重原子: 21
形式电荷: 0
复杂度: 524

ALIASES

名称与别名

共 6 条

methyl 3-(3,5-dibromo-2-oxo-1(2H)-pyrazinyl)-5-fluoro-4-methylbenzoatemethyl 3-[3,5-dibromo-2-oxo-1(2H)-pyrazinyl]-5-fluoro-4-methylbenzoateSCHEMBL451454PKNKEWMWENFXLI-UHFFFAOYSA-Nmethyl 3-(3,5-dibromo-2-oxopyrazin-1(2H)-yl)-5-fluoro-4-methylbenzoate3-(3,5-dibromo-2-oxo-2H-pyrazin-1-yl)-5-fluoro-4-methyl-benzoic acid, methyl ester

REACTIONS