1978305-26-8

Name D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(4-fluorophenyl)-4-(hydroxymethyl)-1-(1H-1,2,4-triazol-1-yl)-
CAS 1978305-26-8
Molecular Formula C14H16FN3O2
Molecular Weight 277.29
MOL File 1978305-26-8.mol
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Chemical Properties

Boiling point  462.8±55.0 °C(Predicted)
density  1.35±0.1 g/cm3(Predicted)
pka 14.81±0.10(Predicted)
InChI InChI=1/C14H16FN3O2/c15-13-3-1-12(2-4-13)14(5-11(6-19)7-20-14)8-18-10-16-9-17-18/h1-4,9-11,19H,5-8H2/t11-,14+/s3
InChIKey SSXYWVPZKZMMLF-LNBRXUOKNA-N
SMILES N1=CN(C[C@@]2(C3=CC=C(F)C=C3)OC[C@@H](CO)C2)N=C1 |&1:4,14,r|

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