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816458-31-8

Name Tecovirimat
CAS 816458-31-8
Molecular Formula C19H15F3N2O3
Molecular Weight 376.332
MOL File 816458-31-8.mol
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Chemical Properties

Melting point  194-195 ºC
density  1.53
storage temp.  -20°C Freezer
solubility  Dichloromethane (Slightly), DMSO Slightly()
form  Solid
color  White to Off-White
InChI InChI=1/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10-,11+,12+,13-,14-,15+
InChIKey CSKDFZIMJXRJGH-VWLPUNTINA-N
SMILES C(F)(C1C=CC(=CC=1)C(=O)NN1C(=O)[C@@]2([H])[C@@]([H])(C1=O)[C@@]1([H])C=C[C@]2([H])[C@]2([H])C[C@]12[H])(F)F |&1:14,16,20,24,26,29,r|

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