HCID2779656

5-Phenyl-1,3,4-oxadiazole-2-carbonyl chloride

C9H5ClN2O2208.6 g/molCAS 98591-60-7

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IDENTITY

结构与身份

标准SMILES: O=C(Cl)c1nnc(-c2ccccc2)o1
InChIKey: BNBPFMDHCGJSSB-UHFFFAOYSA-N
分子式: C9H5ClN2O2
平均分子量: 208.6 g/mol
单同位素质量: 208.0039551

COMPUTED

结构计算性质

等待补全

XLogP: 2.3
极性表面积: 56 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 219

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 17 条

5-phenyl-1,3,4-oxadiazole-2-carbonyl chloride98591-60-7DTXSID00381487RefChem:304596DTXCID20332512638-955-6MFCD030862041,3,4-Oxadiazole-2-carbonylchloride, 5-phenyl-5-PHENYL-1,3,4-OXADIAZOLE-2-CARBONYLCHLORIDESCHEMBL893125BNBPFMDHCGJSSB-UHFFFAOYSA-NSBB094100AKOS027381459AS-9650DB-0307235-phenyl-[1,3,4]oxadiazole-2-carbonyl chloride5-phenyl-1,3,4-oxadiazole-2-carbonyl-chloride

REACTIONS

参与反应

4 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434722B2

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

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08481568B2

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08618138B2

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