HCID223913

Methyl 11-bromoundecanoate

C12H23BrO2279.21 g/molCAS 6287-90-7

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IDENTITY

结构与身份

标准SMILES: COC(=O)CCCCCCCCCCBr
InChIKey: HFNPVFKUZYCDIB-UHFFFAOYSA-N
分子式: C12H23BrO2
平均分子量: 279.21 g/mol
单同位素质量: 278.08814

COMPUTED

结构计算性质

已同步

XLogP: 4.6
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 11
重原子: 15
形式电荷: 0
复杂度: 149

ALIASES

名称与别名

共 33 条

Methyl 11-bromoundecanoate6287-90-7Undecanoic acid, 11-bromo-, methyl esterDTXSID50279264Undecanoic acid, 11-bromo-methylesterRefChem:157167DTXCID30230419HFNPVFKUZYCDIB-UHFFFAOYSA-N11-bromoundecanoic acid methyl esterBr-C10-methyl esterMFCD00045047NSC12015NSC-12015Methyl11-Bromoundecanoate11-bromo-Undecanoic acid methyl ester; 11-bromo-Hendecanoic acid methyl ester; 11-Bromoundecanoic acid methyl ester; NSC 12015methyl 11-bromoundecylateorb1307482orb1940662SCHEMBL1115015Methyl 11-bromoundecanoate, 95%

REACTIONS

参与反应

31 条

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 (9/10) · 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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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1983_03 · 10.6084/m9.figshare.5104873.v1 · US04377695

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uspto-grants-1987_06 · 10.6084/m9.figshare.5104873.v1 · US04672066

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uspto-grants-1987_06 · 10.6084/m9.figshare.5104873.v1 · US04675392

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uspto-grants-1987_06 · 10.6084/m9.figshare.5104873.v1 · US04675392

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