| 中文别名 | BAY-678 racemate(cas:675103-35-2) |
| 英文别名 | BAY-678 racemate,675103-35-2 |
| CAS号 | 675103-35-2 |
| SMILES | N#CC1=NC=C(C(C(C(C)=O)=C(C)N2C3=CC=CC(C(F)(F)F)=C3)NC2=O)C=C1 |
| Inchi | InChI=1S/C20H15F3N4O2/c1-11-17(12(2)28)18(13-6-7-15(9-24)25-10-13)26-19(29)27(11)16-5-3-4-14(8-16)20(21,22)23/h3-8,10,18H,1-2H3,(H,26,29) |
| InchiKey | PGIVGIFOWOVINL-UHFFFAOYSA-N |
| 分子式 Formula | C20H15F3N4O2 |
| 分子量 Molecular Weight | 400.35 |
| 闪点 FP | 331.1±31.5 ℃ |
| 沸点 Boiling point | 623.9±55.0 ℃ at 760 mmHg |
| Polarizability极化度 | 38.2±0.5 10-24cm3 |
| 密度 Density | 1.4±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.8 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 150 mg/mL(374.67 mM)H2O :< 0.1 mg/mL(insoluble)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 性状 | Solid |
| 储藏条件 Storage conditions | 请根据产品建议的存储条件进行存储，Please store the product under the recommended condition sin the description. |
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