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Home >> Chemical Listing >> Page 2012 >> (2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoro-1-oxido-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol

(2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoro-1-oxido-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
[CAS# 618109-05-0]

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Identification
Name (2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoro-1-oxido-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
Synonyms Voriconazole N-Oxide
Molecular Structure CAS#: 618109-05-0, (2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoro-1-oxido-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
Molecular Formula C16H14F3N5O2
Molecular Weight 365.31
CAS Registry Number 618109-05-0
SMILES Fc1c[n+]([O-])cnc1[C@@H]([C@@](O)(c2ccc(F)cc2F)Cn3ncnc3)C
InChI 1S/C16H14F3N5O2/c1-10(15-14(19)5-24(26)9-21-15)16(25,6-23-8-20-7-22-23)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
InChIKey KPLFPLUCFPRUHU-MGPLVRAMSA-N
Properties
Density 1.473g/cm3 (Cal.)
Boiling point 569.513°C at 760 mmHg (Cal.)
Flash point 298.231°C (Cal.)
Refractive index 1.622 (Cal.)
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