HCID17834353

Ethyl 2-chloroquinoline-6-carboxylate

C12H10ClNO2235.66 g/molCAS 29969-56-0

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1ccc2nc(Cl)ccc2c1
InChIKey: LDEPURZVGHLAOX-UHFFFAOYSA-N
分子式: C12H10ClNO2
平均分子量: 235.66 g/mol
单同位素质量: 235.0400063

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 39.2 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 259

ALIASES

名称与别名

共 13 条

Ethyl 2-chloroquinoline-6-carboxylate29969-56-0MFCD22371634SCHEMBL3267461DTXSID80591183LDEPURZVGHLAOX-UHFFFAOYSA-NEthyl2-chloroquinoline-6-carboxylateAKOS007036513SB69086WS-02227DB-360380CS-03280602-chloro-quinoline-6-carboxylic acid ethyl ester

REACTIONS

参与反应

5 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06710056B2

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

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

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08188284B2

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uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08399674B2

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