4-[(5-氯-2,6-二氟-4-嘧啶基)氨基]-2-[[1-(3-氯-4-磺苯基)-4,5-二 氢-3-甲基-5-氧代-1H-吡唑-4-基]偶 氮]-5-甲基-苯磺酸二钾盐
Dipotassium 6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonate · CAS 79135-94-7
- 中文名
- 4-[(5-氯-2,6-二氟-4-嘧啶基)氨基]-2-[[1-(3-氯-4-磺苯基)-4,5-二 氢-3-甲基-5-氧代-1H-吡唑-4-基]偶 氮]-5-甲基-苯磺酸二钾盐
- 中文别名
- 暂无
- 英文名
- Dipotassium 6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonate
- CAS
- 79135-94-7
- CID
- 11970660
- IUPAC 名称
- dipotassium;4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[[1-(3-chloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-methylbenzenesulfonate
名称与编号
- 中文名
- 4-[(5-氯-2,6-二氟-4-嘧啶基)氨基]-2-[[1-(3-氯-4-磺苯基)-4,5-二 氢-3-甲基-5-氧代-1H-吡唑-4-基]偶 氮]-5-甲基-苯磺酸二钾盐
- 中文别名
- 暂无
- 英文名
- Dipotassium 6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonate
- CAS
- 79135-94-7
- CID
- 11970660
- IUPAC 名称
- dipotassium;4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[[1-(3-chloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-methylbenzenesulfonate
分子属性
- 分子式
- C21H13Cl2F2K2N7O7S2
- 分子量
- 726.6 g/mol
- 精确质量
- 724.8937128 Da
- 单同位素质量
- 724.8937128 Da
- XLogP
- 暂无
- 极性表面积
- 226 Ų
- 氢键供体
- 1
- 氢键受体
- 15
- 可旋转键
- 5
- 重原子数
- 43
- 净电荷
- 0
- 结构复杂度
- 1240
结构标识
- InChIKey
- HBLOCACVACHTGZ-UHFFFAOYSA-L
- SMILES
- CC1=CC(=C(C=C1NC2=C(C(=NC(=N2)F)F)Cl)N=NC3C(=NN(C3=O)C4=CC(=C(C=C4)S(=O)(=O)[O-])Cl)C)S(=O)(=O)[O-].[K+].[K+]
- InChI
- InChI=1S/C21H15Cl2F2N7O7S2.2K/c1-8-5-15(41(37,38)39)13(7-12(8)26-19-16(23)18(24)27-21(25)28-19)29-30-17-9(2)31-32(20(17)33)10-3-4-14(11(22)6-10)40(34,35)36;;/h3-7,17H,1-2H3,(H,26,27,28)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2