HCID68675648

3-(3-Bromophenyl)-4-(4-chlorophenyl)-3-methyl-2-butanone

3-(3-bromophenyl)-4-(4-chlorophenyl)-3-methylbutan-2-one

C17H16BrClO351.7 g/molCAS 610791-08-7

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IDENTITY

结构与身份

标准SMILES: CC(=O)C(C)(Cc1ccc(Cl)cc1)c1cccc(Br)c1
InChIKey: QIGYBKFMXCSTRL-UHFFFAOYSA-N
分子式: C17H16BrClO
平均分子量: 351.7 g/mol
单同位素质量: 350.00731

COMPUTED

结构计算性质

已同步

XLogP: 5.2
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 4
重原子: 20
形式电荷: 0
复杂度: 338

ALIASES

名称与别名

共 7 条

3-(3-Bromophenyl)-4-(4-chlorophenyl)-3-methyl-2-butanoneSCHEMBL3522511QIGYBKFMXCSTRL-UHFFFAOYSA-N3-(3-bromophenyl)-4-(4-chlorophenyl)-3-methylbutan-2-oneDTXSID001201491610791-08-73-(3-bromophenyl)4-(4-chlorophenyl)-3-methyl-2-butanone

REACTIONS

相关反应

10 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07423067B2

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07423067B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2008_03 · 10.6084/m9.figshare.5104873.v1 · US07348456B2

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uspto-grants-2008_03 · 10.6084/m9.figshare.5104873.v1 · US07348456B2

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uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07667053B2

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uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07667053B2

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