HCID4550461

5-Methyl-6-nitro-1,3-benzodioxole

C8H7NO4181.15 g/molCAS 32996-27-3

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IDENTITY

结构与身份

标准SMILES: Cc1cc2c(cc1[N+](=O)[O-])OCO2
InChIKey: HSJXVJRZFPZLSP-UHFFFAOYSA-N
分子式: C8H7NO4
平均分子量: 181.15 g/mol
单同位素质量: 181.0375077

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 64.3 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 0
重原子: 13
形式电荷: 0
复杂度: 215

ALIASES

名称与别名

共 32 条

32996-27-35-methyl-6-nitro-1,3-benzodioxoleDTXSID00404160RefChem:304221DTXCID703550145-Methyl-6-nitrobenzo[d][1,3]dioxoleMFCD002291141,3-Benzodioxole, 5-methyl-6-nitro-SCHEMBL1028694CHEMBL16719422-nitro-4,5-methylenedioxytoluene5-methyl-6-nitro-1,3-dioxaindane2-nitro-4, 5-methylenedioxytoluene5-methyl-6-nitro-2H-1,3-benzodioxoleSCHEMBL123842orb3022538SCHEMBL9471765SCHEMBL9471773TPL0534ALBB-024070

REACTIONS

相关反应

8 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427630B2

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

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uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06605596B2

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uspto-grants-2006_10 · 10.6084/m9.figshare.5104873.v1 · US07122526B2

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08513235B2

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

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