HCID2763683

6-Nitro-2H-1,4-benzoxazin-3(4H)-one

6-nitro-4H-1,4-benzoxazin-3-one

C8H6N2O4194.14 g/molCAS 81721-87-1

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IDENTITY

结构与身份

标准SMILES: O=C1COc2ccc([N+](=O)[O-])cc2N1
InChIKey: UNYXDJBNODSRRC-UHFFFAOYSA-N
分子式: C8H6N2O4
平均分子量: 194.14 g/mol
单同位素质量: 194.03275668

COMPUTED

结构计算性质

等待补全

XLogP: 0.7
极性表面积: 84.2 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 0
重原子: 14
形式电荷: 0
复杂度: 263

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 38 条

81721-87-16-Nitro-2H-1,4-benzoxazin-3(4H)-one6-Nitro-4H-benzo[1,4]oxazin-3-oneDTXSID103770936-Nitro-4H-benzo(1,4)oxazin-3-oneRefChem:544081DTXCID10328121625-359-66-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one6-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one6-nitro-4H-1,4-benzoxazin-3-oneMFCD034257442H-1,4-Benzoxazin-3(4H)-one, 6-nitro-6-Nitro-2H-[1,4]benzoxazin-3(4H)-oneSCHEMBL304014SCHEMBL31490264SBB056033STK661392AKOS0012991986-nitro-2H-benzo[1,4]oxazin-3-one

REACTIONS

参与反应

64 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858621B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858621B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829204B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829204B2

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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 (2/10) · 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-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207163B2

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