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1215780-15-6

Name α-Desmethyl Anastrozole
CAS 1215780-15-6
Molecular Formula C16H17N5
MDL Number MFCD20278235
Molecular Weight 279.34
MOL File 1215780-15-6.mol

Chemical Properties

Boiling point  477.5±55.0 °C(Predicted)
density  1.11±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform, Methanol (Very Slightly)
form  Thick Oil
pka 2.63±0.10(Predicted)
color  Colorless to Pale Beige
InChI InChI=1S/C16H17N5/c1-12(7-17)14-4-13(8-21-11-19-10-20-21)5-15(6-14)16(2,3)9-18/h4-6,10-12H,8H2,1-3H3
InChIKey LXXANTDQIIXQBZ-UHFFFAOYSA-N
SMILES c1c(C[n]2ncnc2)cc(C(C)(C#N)C)cc1C(C#N)C

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