MDL | MFCD18782737 |
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InChIKey | DUXWIYXHHGNUJU-UHFFFAOYSA-N |
Inchi | InChI=1S/C17H10F9NO2/c18-15(19,20)11-3-1-9(2-4-11)13(28)27-12-7-5-10(6-8-12)14(29,16(21,22)23)17(24,25)26/h1-8,29H,(H,27,28) |
SMILES | O=C(NC1=CC=C(C(C(F)(F)F)(C(F)(F)F)O)C=C1)C2=CC=C(C(F)(F)F)C=C2 |
LogP | 5.65390 |
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PSA | 52.82000 |
熔点 | 169 ºC |
溶解度 | Insuluble (5.6E-4 g/L) (25 ºC), |
密度 | 1.527±0.06 g/cm3 (20 ºC 760 Torr), |
精确分子量 | 431.05700 |
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氢键供体数量 | 2 |
氢键受体数量 | 3 |
可旋转化学键数量 | 7 |
重原子数量 | 29 |