5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
化学名:5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
CAS番号.356068-93-4
英語名:5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
CBNumberCB91503983
MFC16H13FN2O3
MW300.28
MOL File356068-93-4.mol
5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid物理性質
| 融点 | 320 °C (decomp) |
| 沸点 | 588.4±50.0 °C(Predicted) |
| 比重(密度) | 1.454±0.06 g/cm3(Predicted) |
| 貯蔵温度 | Sealed in dry,Room Temperature |
| 溶解性 | Aqueous Base (わずかに、加熱)、DMSO (わずかに、加熱) |
| 外見 | 個体 |
| 酸解離定数(Pka) | 5.79±0.50(Predicted) |
| 色 | ダークオレンジ |
| 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)=C1C |