HCID25181547

Halauxifen

4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid

C13H9Cl2FN2O3331.12 g/molCAS 943832-60-8

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IDENTITY

结构与身份

标准SMILES: COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F
InChIKey: KKLBEFSLWYDQFI-UHFFFAOYSA-N
分子式: C13H9Cl2FN2O3
平均分子量: 331.12 g/mol
单同位素质量: 329.9974257

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 85.4 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 3
重原子: 21
形式电荷: 0
复杂度: 390

GHS

GHS分类

来源：PubChem

GHS Classification

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Regulation (EC) No 1107/2009 (amended)

Hazard Classes and Categories

Aquatic Chronic 3 (100%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Regulation (EC) No 1107/2009 (amended)

ALIASES

名称与别名

共 34 条

Halauxifen943832-60-8Halauxifen [ISO]Halauxifen (free acid)UNII-X6XT37HY9RX6XT37HY9RXDE-7294-Amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinecarboxylic acidDE-729XR-729XDE 729 acidXR-729 acidCHEBI:145477DTXSID102414474-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)picolinic acid2-PYRIDINECARBOXYLIC ACID, 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)-RefChem:145023DTXCID101639384-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acidHalauxifen methyl acid

REACTIONS

参与反应

10 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536331B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536331B2

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08883688B2

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08883688B2

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08889694B2

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08889694B2

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

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

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