HCID5304061

(2-Chlorophenyl)(pyridin-3-yl)methanone

(2-chlorophenyl)-pyridin-3-ylmethanone

C12H8ClNO217.65 g/molCAS 42374-49-2

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IDENTITY

结构与身份

标准SMILES: O=C(c1cccnc1)c1ccccc1Cl
InChIKey: NPMCFDJRPUNFPJ-UHFFFAOYSA-N
分子式: C12H8ClNO
平均分子量: 217.65 g/mol
单同位素质量: 217.0294416

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 30 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 232

ALIASES

名称与别名

共 24 条

(2-chlorophenyl)(pyridin-3-yl)methanone42374-49-23-(2-Chlorobenzoyl)pyridine(2-chlorophenyl)-pyridin-3-ylmethanoneMethanone, (2-chlorophenyl)-3-pyridinyl-MFCD07023033AKOS 94077o-chlorophenyl 3-pyridyl ketoneSCHEMBL67705492-chlorophenyl 3-pyridyl ketoneDTXSID90415447NPMCFDJRPUNFPJ-UHFFFAOYSA-NALBB-013947STK784724(2-Chlorophenyl)-3-pyridinylmethanoneAKOS000282165(2-chlorophenyl)-(3-pyridyl)methanone(2-Chlorophenyl)(3-pyridinyl)methanoneLS-04386ST4127192

REACTIONS

参与反应

2 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06706663B2

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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