4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo-[2,3-d]pyrimidine-6-carboxylic acid

4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo-[2,3-d]pyrimidine-6-carboxylic acid

英文名称:4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo-[2,3-d]pyrimidine-6-carboxylic acid
CAS号:1346447-16-2
分子式:C13H8ClN3O4S
分子量:337.74
EINECS号:
Mol文件:1346447-16-2.mol
4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo-[2,3-d]pyrimidine-6-carboxylic acid 结构式

4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo-[2,3-d]pyrimidine-6-carboxylic acid 性质

沸点 622.2±65.0 °C(Predicted)
密度 1.68±0.1 g/cm3(Predicted)
形态 solid
酸度系数(pKa) 2.68±0.30(Predicted)
InChI 1S/C13H8ClN3O4S/c14-11-9-6-10(13(18)19)17(12(9)16-7-15-11)22(20,21)8-4-2-1-3-5-8/h1-7H,(H,18,19)
InChIKey IRHIFBDAGLUAEB-UHFFFAOYSA-N
SMILES OC(=O)c1cc2c(Cl)ncnc2n1S(=O)(=O)c3ccccc3

安全信息

WGK GermanyWGK 3
存储类别11 - 可燃固体