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188416-35-5

Name (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)butan-2-ol hydrochloride
CAS 188416-35-5
EINECS(EC#) 606-140-4
Molecular Formula C14H13Cl2F3N2O
MDL Number MFCD07772028
Molecular Weight 353.17
MOL File 188416-35-5.mol

Chemical Properties

Melting point  183-187°C
Boiling point  529.9±60.0 °C(Predicted)
density  1.51
storage temp.  Refrigerator
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 11.44±0.29(Predicted)
color  Off-White
InChI InChI=1S/C16H13ClF3N5O/c1-9(14-13(20)15(17)23-7-22-14)16(26,5-25-8-21-6-24-25)11-3-2-10(18)4-12(11)19/h2-4,6-9,26H,5H2,1H3
InChIKey BQDLXFABVRRDFU-UHFFFAOYSA-N
SMILES C(O)(CN1C=NC=N1)(C(C)C1N=CN=C(Cl)C=1F)C1C=CC(F)=CC=1F
CAS DataBase Reference 188416-35-5(CAS DataBase Reference)

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