1289023-94-4

Name 5H-Cyclohepta[b]pyridine-5,9-diol, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-, (5S,6S,9R)-
CAS 1289023-94-4
Molecular Formula C16H15F2NO2
Molecular Weight 291.29
MOL File 1289023-94-4.mol
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Chemical Properties

Boiling point  441.4±45.0 °C(Predicted)
density  1.362±0.06 g/cm3(Predicted)
pka 13.08±0.60(Predicted)
InChI InChI=1S/C16H15F2NO2/c17-12-5-1-3-9(14(12)18)10-6-7-13(20)15-11(16(10)21)4-2-8-19-15/h1-5,8,10,13,16,20-21H,6-7H2/t10-,13+,16-/m0/s1
InChIKey RSGBRYRHNRENCA-WNMQOVRZSA-N
SMILES C12[C@H](O)CC[C@@H](C3=CC=CC(F)=C3F)[C@H](O)C1=CC=CN=2

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