627530-84-1
627530-84-1 結(jié)構(gòu)式
基本信息
中文別名
化合物 T14675 英文別名
929BMS-564
BMS 564929
BMS 564929
BMS564929
BMS-564929
BMS-564
929
BMS 564929
2-chloro-4-((7R,7aS)-7-hydroxy-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-3-methylbenzonitrile
2-Chloro-3-methyl-4-[(7R,7aS)-tetrahydro-7-hydroxy-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]benzonitrile
Benzonitrile, 2-chloro-3-methyl-4-[(7R,7aS)-tetrahydro-7-hydroxy-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]-
所屬類別
分析化學(xué)：分析標(biāo)準(zhǔn)品物理化學(xué)性質(zhì)
沸點523.3±60.0 °C(Predicted)
密度1.58±0.1 g/cm3(Predicted)
儲存條件-20°C儲存
溶解度DMSO: 50 mg/mL (163.55 mM); Water: < 0.1 mg/mL (insoluble)
酸度系數(shù)(pKa)13.38±0.20(Predicted)
形態(tài)neat
顏色White to off-white
BRN11053870
主要應(yīng)用forensics and toxicology
pharmaceutical (small molecule)
pharmaceutical (small molecule)
InChI1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,12,19H,4-5H2,1H3/t10-,12+/m1/s1
InChIKeyKEJORAMIZFOODM-PWSUYJOCSA-N
SMILESO=C([C@@]1([H])N2CC[C@H]1O)N(C3=C(C)C(Cl)=C(C#N)C=C3)C2=O
