HCID7016459

1-(3-Bromophenyl)pyrrolidine

C10H12BrN226.11 g/molCAS 219928-13-9

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IDENTITY

结构与身份

标准SMILES: Brc1cccc(N2CCCC2)c1
InChIKey: SKCNYQBWULWGAP-UHFFFAOYSA-N
分子式: C10H12BrN
平均分子量: 226.11 g/mol
单同位素质量: 225.01531

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 3.2 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 143

ALIASES

名称与别名

共 21 条

1-(3-bromophenyl)pyrrolidine219928-13-9DTXSID80426845RefChem:224232DTXCID10377679MFCD041125311-(3-Bromo-phenyl)-pyrrolidine(3-bromophenyl)pyrrolidineSCHEMBL1353556SCHEMBL6989683SCHEMBL20562664SKCNYQBWULWGAP-UHFFFAOYSA-NSBB096931AKOS015834581FS-3540SB62027SY104076DB-010123CS-0044975EN300-314361

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07977485B2

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uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07977485B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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uspto-grants-2015_06 · 10.6084/m9.figshare.5104873.v1 · US09067931B2

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uspto-grants-2015_06 · 10.6084/m9.figshare.5104873.v1 · US09067931B2

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