HCID22662793

3,6-Dichloropyrazine-2-carboxylic acid

C5H2Cl2N2O2192.98 g/molCAS 356783-15-8

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: O=C(O)c1nc(Cl)cnc1Cl
InChIKey: JKDYBIZSSBHQLV-UHFFFAOYSA-N
分子式: C5H2Cl2N2O2
平均分子量: 192.98 g/mol
单同位素质量: 191.9493327

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 63.1 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 167

ALIASES

名称与别名

共 16 条

3,6-Dichloropyrazine-2-carboxylic acid356783-15-8MFCD145819783,6-Dichloropyrazine-2-carboxylicacid3,6-DICHLORO-2-PYRAZINECARBOXYLIC ACIDSCHEMBL6377192DTXSID80627390JKDYBIZSSBHQLV-UHFFFAOYSA-NAKOS016000816AB70505DS-5898SY111755DB-330952N132163 pound not6-Dichloropyrazine-2-carboxylic acidF318470

REACTIONS

参与反应

2 条

uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06800629B2

查看

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

查看