HCID3536446

2-(1H-1,2,4-Triazol-1-yl)benzaldehyde

2-(1,2,4-triazol-1-yl)benzaldehyde

C9H7N3O173.17 g/molCAS 138479-53-5

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IDENTITY

结构与身份

标准SMILES: O=Cc1ccccc1-n1cncn1
InChIKey: IUOWYKORVDKYFG-UHFFFAOYSA-N
分子式: C9H7N3O
平均分子量: 173.17 g/mol
单同位素质量: 173.05891186

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 47.8 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 186

PROPERTIES

实验与物化性质

来源：PubChem

Solubility

19.2 [ug/mL] (The mean of the results at pH 7.4)

ALIASES

名称与别名

共 29 条

138479-53-52-(1H-1,2,4-triazol-1-yl)benzaldehydeDTXSID60393425RefChem:249886DTXCID103442852-[1,2,4]Triazol-1-yl-benzaldehyde2-(1,2,4-triazol-1-yl)benzaldehyde2-(1H-1,2,4-triazol-1-yl)benzenecarbaldehydeMFCD03617913Benzaldehyde, 2-(1H-1,2,4-triazol-1-yl)-2-[124]Triazol-1-yl-benzaldehydeMLS000720595SCHEMBL192940CHEMBL1504654IUOWYKORVDKYFG-UHFFFAOYSA-NHMS2741M072-(1,2,4-triazolyl)benzaldehydeSBB0887602-1,2,4-triazol-1-yl-benzaldehyde2-[1,2,4]Triazol-1-ylbenzaldehyde

REACTIONS

参与反应

3 条

uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08420655B2

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uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08420655B2

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uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08420655B2

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