HCID23554339

Tert-butyl (4-iodo-2-nitrophenyl)carbamate

tert-butyl N-(4-iodo-2-nitrophenyl)carbamate

C11H13IN2O4364.14 g/molCAS 335254-69-8

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IDENTITY

结构与身份

标准 SMILES: CC(C)(C)OC(=O)Nc1ccc(I)cc1[N+](=O)[O-]
InChIKey: YJHGAFUPACBMDJ-UHFFFAOYSA-N
分子式: C11H13IN2O4
平均分子量: 364.14 g/mol
单同位素质量: 363.992

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 84.2 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 18
形式电荷: 0
复杂度: 324

ALIASES

名称与别名

共 17 条

335254-69-8TERT-BUTYL (4-IODO-2-NITROPHENYL)CARBAMATEN-Boc-4-iodo-2-nitroanilinetert-butyl N-(4-iodo-2-nitrophenyl)carbamateMFCD14635744SCHEMBL5557413(4-iodo-2-nitro-phenyl)-carbamic acid tert.-butyl esterDTXSID80634928YJHGAFUPACBMDJ-UHFFFAOYSA-NCS-D0098AKOS022175515Tert-butyl 4-iodo-2-nitrophenylcarbamateSY030218DB-255656tert-butyl N-(4-iodo-2-nitro-phenyl)carbamateEN300-6201424TERT-BUTYL(4-IODO-2-NITROPHENYL)CARBAMATE

REACTIONS

参与反应

191 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID95687

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

作为反应物

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HRID97492

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

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HRID114050

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

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

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HRID122513

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

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HRID137178

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

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HRID151398

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

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HRID151889

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

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HRID190128

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

作为反应物

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

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