HCID2796281

2,3-Dichlorophenyl Isothiocyanate

1,2-dichloro-3-isothiocyanatobenzene

C7H3Cl2NS204.08 g/molCAS 6590-97-2

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: S=C=Nc1cccc(Cl)c1Cl
InChIKey: RQZIODPVCCTBAQ-UHFFFAOYSA-N
分子式: C7H3Cl2NS
平均分子量: 204.08 g/mol
单同位素质量: 202.9363257

COMPUTED

结构计算性质

等待补全

XLogP: 4.6
极性表面积: 44.5 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 179

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 32 条

2,3-Dichlorophenyl isothiocyanate6590-97-2DTXSID40383829RefChem:81615DTXCID60334853625-934-1RQZIODPVCCTBAQ-UHFFFAOYSA-N1,2-dichloro-3-isothiocyanatobenzene2,3-DICHLOROPHENylisoTHIOCYANATEMFCD000410482,3-Dichloroisothiocyanatobenzene1,2-dichloro-3-isothiocyanato-benzeneBenzene, 1,2-dichloro-3-isothiocyanato-dichlorophenylisothiocyanatedichlorophenyl isothiocyanateSCHEMBL895789SCHEMBL296680942,3-dichlorophenyl-isothiocyanateBp-13308SBB093232

REACTIONS

相关反应

72 条

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

查看

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

查看

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

查看

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

查看

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06353006B1

查看

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06353006B1

查看

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06353006B1

查看

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06353006B1

查看