HCID136342890

CID 136342890

N-[(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methylidene]hydroxylamine

C7H5ClN4O196.59 g/molCAS 908287-23-0

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IDENTITY

结构与身份

标准SMILES: ON=Cc1c[nH]c2ncnc(Cl)c12
InChIKey: PQQOIYUCJULKAF-UHFFFAOYSA-N
分子式: C7H5ClN4O
平均分子量: 196.59 g/mol
单同位素质量: 196.0151885

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 74.2 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 213

ALIASES

名称与别名

共 9 条

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde oxime908287-23-0SCHEMBL156060(E)-N-({4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}METHYLIDENE)HYDROXYLAMINEPQQOIYUCJULKAF-UHFFFAOYSA-NDTXSID701176807DB-2188607H-Pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde, 4-chloro-, oximeN-[(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methylidene]hydroxylamine

REACTIONS