5-((Z)-(5-氟-2-氧代吲哚烷-3-亚基)甲基)-2,4-二甲基-1H-吡咯-3-羧酸 新品

熔点

320 °C (decomp)

沸点

588.4±50.0 °C(Predicted)

密度

1.454±0.06 g/cm3(Predicted)

储存条件

Sealed in dry,Room Temperature

溶解度

Aqueous Base (Slightly, Heated), DMSO (Slightly, Heated)

形态

Solid

酸度系数(pKa)

5.79±0.50(Predicted)

颜色

Dark Orange

InChI

InChI=1S/C16H13FN2O3/c1-7-13(18-8(2)14(7)16(21)22)6-11-10-5-9(17)3-4-12(10)19-15(11)20/h3-6,18H,1-2H3,(H,19,20)(H,21,22)/b11-6-

InChIKey

RBHBOUYXUXWCNJ-WDZFZDKYSA-N

SMILES

N1C(/C=C2/C3=C(NC/2=O)C=CC(F)=C3)=C(C)C(C(O)=O)=C1

熔点

320 °C (decomp)

沸点

588.4±50.0 °C(Predicted)

密度

1.454±0.06 g/cm3(Predicted)

储存条件

Sealed in dry,Room Temperature

溶解度

Aqueous Base (Slightly, Heated), DMSO (Slightly, Heated)

形态

Solid

酸度系数(pKa)

5.79±0.50(Predicted)

颜色

Dark Orange

InChI

InChI=1S/C16H13FN2O3/c1-7-13(18-8(2)14(7)16(21)22)6-11-10-5-9(17)3-4-12(10)19-15(11)20/h3-6,18H,1-2H3,(H,19,20)(H,21,22)/b11-6-

InChIKey

RBHBOUYXUXWCNJ-WDZFZDKYSA-N

SMILES

N1C(/C=C2/C3=C(NC/2=O)C=CC(F)=C3)=C(C)C(C(O)=O)=C1