HCID2774574

3-Fluoro-4-methylbenzaldehyde

C8H7FO138.14 g/molCAS 177756-62-6

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(C=O)cc1F
InChIKey: UFPBMVRONDLOGK-UHFFFAOYSA-N
分子式: C8H7FO
平均分子量: 138.14 g/mol
单同位素质量: 138.04809301

COMPUTED

结构计算性质

等待补全

XLogP: 1.8
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 124

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 29 条

3-Fluoro-4-methylbenzaldehyde177756-62-6DTXSID80379105RefChem:501784DTXCID40330131626-679-93-fluoro-4-methyl-benzaldehydeBENZALDEHYDE, 3-FLUORO-4-METHYL-MFCD016315323-Fluoro-p-tolualdehydeSCHEMBL229897SCHEMBL1044275CHEMBL1650251SCHEMBL29453098UFPBMVRONDLOGK-UHFFFAOYSA-NCL8327SBB0860033-Fluoro-4-methylbenzaldehyde, 98%AKOS005258331CS-W018316

REACTIONS

参与反应

37 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087606B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524738B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524738B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524738B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524738B2

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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