HCID676501

5-Chloro-2-hydroxy-3-methoxybenzoic acid

C8H7ClO4202.59 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(Cl)cc(C(=O)O)c1O
InChIKey: XIUGJQARSDULCU-UHFFFAOYSA-N
分子式: C8H7ClO4
平均分子量: 202.59 g/mol
单同位素质量: 202.0032864

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 66.8 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 197

ALIASES

名称与别名

共 17 条

5-chloro-2-hydroxy-3-methoxybenzoic acid87964-77-0Benzoic acid, 5-chloro-2-hydroxy-3-methoxy-TimTec1_005029Oprea1_827269SCHEMBL4868587XIUGJQARSDULCU-UHFFFAOYSA-NHMS1548E13ALBB-035015MFCD00508372STL582430AKOS0051513945-chloro-2-hydroxy-3-methoxybenzoicacid5-chloro-2-hydroxy-3-methoxy benzoic acid5-chloro-2-hydroxy-3-methoxy-benzoic acidCS-0360761F97630

REACTIONS

参与反应

4 条

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

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

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uspto-grants-2008_01 · 10.6084/m9.figshare.5104873.v1 · US07319101B2

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uspto-grants-2008_01 · 10.6084/m9.figshare.5104873.v1 · US07319101B2

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