HCID23438326

7-Bromo-4-hydroxyquinoline-3-carbonitrile

7-bromo-4-oxo-1H-quinoline-3-carbonitrile

C10H5BrN2O249.06 g/molCAS 958648-90-3

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IDENTITY

结构与身份

标准SMILES: N#Cc1c[nH]c2cc(Br)ccc2c1=O
InChIKey: FNDKKWUFCCNDEC-UHFFFAOYSA-N
分子式: C10H5BrN2O
平均分子量: 249.06 g/mol
单同位素质量: 247.95853

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 52.9 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 0
重原子: 14
形式电荷: 0
复杂度: 341

ALIASES

名称与别名

共 22 条

7-Bromo-4-hydroxyquinoline-3-carbonitrile958648-90-37-BROMO-3-CYANO-4-HYDROXYQUINOLINE364793-56-6MFCD131810877-BROMO-4-OXO-1H-QUINOLINE-3-CARBONITRILE7-bromo-4-oxo-1,4-dihydroquinoline-3-carbonitrile3-Quinolinecarbonitrile, 7-broMo-4-hydroxy-4-dihydro-4-oxo-7-bromo-1-3-Quinolinecarbonitrile3-Quinolinecarbonitrile, 7-bromo-1,4-dihydro-4-oxo-SCHEMBL5253807DTXSID006341427-BROMO-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBONITRILEAKOS005142017SB69096AS-35647DB-369521DB-369524CS-0001143CS-0001190

REACTIONS

参与反应

1 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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