HCID66866766

1-Bromo-2-cyclopropylmethoxy-4-fluoro-5-methoxy-benzene

1-bromo-2-(cyclopropylmethoxy)-4-fluoro-5-methoxybenzene

C11H12BrFO2275.11 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(Br)c(OCC2CC2)cc1F
InChIKey: YINKZYHGNUMCQM-UHFFFAOYSA-N
分子式: C11H12BrFO2
平均分子量: 275.11 g/mol
单同位素质量: 274.00047

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 18.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 4
重原子: 15
形式电荷: 0
复杂度: 211

ALIASES

名称与别名

共 5 条

1-Bromo-2-cyclopropylmethoxy-4-fluoro-5-methoxy-benzeneSCHEMBL983574TQP1025YINKZYHGNUMCQM-UHFFFAOYSA-N1-bromo-2-(cyclopropylmethoxy)-4-fluoro-5-methoxybenzene

REACTIONS

参与反应

10 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID100191

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为产物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID1423399

uspto-grants-2015_01

作为产物

uspto-grants-2015_01 · 10.6084/m9.figshare.5104873.v1 · US08927557B2

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HRID1423408

uspto-grants-2015_01

作为反应物

uspto-grants-2015_01 · 10.6084/m9.figshare.5104873.v1 · US08927557B2

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HRID2093841

uspto-grants-2013_05

作为产物

uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08445501B2

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HRID2093851

uspto-grants-2013_05

作为反应物

uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08445501B2

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HRID2208133

uspto-grants-2016_06

作为产物

uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09376442B2

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HRID2208142

uspto-grants-2016_06

作为反应物

uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09376442B2

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HRID2329577

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

作为反应物

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

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