HCID67152890

Methyl 4-(benzyloxy)-5-bromo-2-hydroxybenzoate

methyl 5-bromo-2-hydroxy-4-phenylmethoxybenzoate

C15H13BrO4337.16 g/molCAS 190278-38-7

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(Br)c(OCc2ccccc2)cc1O
InChIKey: KLNYWTFBXGQVHO-UHFFFAOYSA-N
分子式: C15H13BrO4
平均分子量: 337.16 g/mol
单同位素质量: 335.99972

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 55.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 5
重原子: 20
形式电荷: 0
复杂度: 317

ALIASES

名称与别名

共 10 条

190278-38-7Methyl 4-(benzyloxy)-5-bromo-2-hydroxybenzoatemethyl 5-bromo-2-hydroxy-4-phenylmethoxybenzoateBenzoic acid, 5-bromo-2-hydroxy-4-(phenylmethoxy)-, methyl esterSCHEMBL1763974DTXSID10736525KLNYWTFBXGQVHO-UHFFFAOYSA-NDB-209313A1-249604-benzyloxy-5-bromo-2-hydroxy-benzoic acid methyl ester

REACTIONS

参与反应

2 条

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

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uspto-grants-2008_12 · 10.6084/m9.figshare.5104873.v1 · US07459472B2

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