HCID2734200

2-(4-Chloro-2-butenyl)-1,3-isoindolinedione

2-(4-chlorobut-2-enyl)isoindole-1,3-dione

C12H10ClNO2235.66 g/molCAS 31645-84-8

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IDENTITY

结构与身份

标准SMILES: O=C1c2ccccc2C(=O)N1CC=CCCl
InChIKey: VSGHWUAHVBTJIU-UHFFFAOYSA-N
分子式: C12H10ClNO2
平均分子量: 235.66 g/mol
单同位素质量: 235.0400063

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 37.4 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 303

ALIASES

名称与别名

共 15 条

2-(4-chlorobut-2-enyl)isoindole-1,3-dione31645-84-82-(4-chloro-2-butenyl)-1,3-isoindolinedione84347-67-12-(4-chlorobut-2-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dioneSCHEMBL6449372-(4-CHLORO-2-BUTENYL)-1,3-ISOINDOLINEDIONE, TECH GRADEDTXSID80370157VSGHWUAHVBTJIU-UHFFFAOYSA-NSB64183DB-0045362-(4-chlorobut-2-enyl)isoindoline-1,3-dione2-(4-Chloro-but-2-enyl)-isoindole-1,3-dioneN-(4-chloro-2-butenyl)-isoindole-1,3(2H)-dione2-(4-Chlorobut-2-en-1-yl)-1H-isoindole-1,3(2H)-dione

REACTIONS

相关反应

7 条

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

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

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uspto-grants-1984_12 · 10.6084/m9.figshare.5104873.v1 · US04489089

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uspto-grants-1986_02 · 10.6084/m9.figshare.5104873.v1 · US04568687

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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08119642B2

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uspto-grants-2009_10 · 10.6084/m9.figshare.5104873.v1 · US07605259B2

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

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