CAS: | 1010396-29-8 |
MF: | C18H13ClF4N2O3 |
MW: | 416.75 |
EINECS: | 1532714-185-1 |
Product Categories: | 1010396-29-8 |
Mol File: | 1010396-29-8.mol |
|
Melting point | 119-121 °C |
Boiling point | 577.1±50.0 °C(Predicted) |
density | 1.48±0.1 g/cm3(Predicted) |
storage temp. | -20°C Freezer |
solubility | Chloroform (Slightly), Methanol (Slightly) |
pka | 12.04±0.29(Predicted) |
color | White to Off-White |
optical activity | [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 |
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