S-23
Bezeichnung:S-23
CAS-Nr1010396-29-8
Englisch Name:S-23
CBNumberCB92743832
SummenformelC18H13ClF4N2O3
Molgewicht416.75
MOL-Datei1010396-29-8.mol
S-23 physikalisch-chemischer Eigenschaften
Schmelzpunkt | 119-121 °C |
Siedepunkt | 577.1±50.0 °C(Predicted) |
Dichte | 1.48±0.1 g/cm3(Predicted) |
storage temp. | -20°C Freezer |
Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
pka | 12.04±0.29(Predicted) |
Aggregatzustand | Solid |
Farbe | White to Off-White |
Optische Aktivität | [α]/D 20±3°, c = 0.1 in chloroform |
BRN | 19161994 |
InChI | InChI=1S/C18H13ClF4N2O3/c1-17(27,9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21,22)23/h2-7,27H,9H2,1H3,(H,25,26)/t17-/m0/s1 |
InChIKey | SSFVOEAXHZGTRJ-KRWDZBQOSA-N |
SMILES | C(NC1=CC=C(C#N)C(C(F)(F)F)=C1)(=O)[C@](O)(C)COC1=CC=C(Cl)C(F)=C1 |