- 끓는 점
- 491.5 · 491.5±55.0 °C(Predicted)
- 밀도
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 56.65 · DMSO:56.65(Max Conc. mg/mL);179.42(Max Conc. mM)DMSO:PBS(pH 7.2) (1:3):0.25(Max Conc. mg/mL);0.79(Max Conc. mM)DMF:30.0(Max Conc. mg/mL);95.01(Max Conc. mM)
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 1.75 · 1.75±0.63(Predicted)
- 색상
- Off-white to yellow
- InChI
- InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
- InChIKey
- NCWQLHHDGDXIJN-UHFFFAOYSA-N
- SMILES
- N1C(C2C=C(C)N=C(Cl)C=2)=C(C2=CC=C(F)C=C2)N=C(N)N=1