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1169964-41-3

Name 1169964-41-3
CAS 1169964-41-3
Molecular Formula C24H18Br3N3
MDL Number MFCD27965501
Molecular Weight 588.13
MOL File 1169964-41-3.mol
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Chemical Properties

Melting point  195-197 °C
Boiling point  686.0±65.0 °C(Predicted)
density  1.664±0.06 g/cm3(Predicted)
pka 0.51±0.10(Predicted)
InChI InChI=1S/C24H18Br3N3/c25-13-16-1-7-19(8-2-16)22-28-23(20-9-3-17(14-26)4-10-20)30-24(29-22)21-11-5-18(15-27)6-12-21/h1-12H,13-15H2
InChIKey IOJQCIAKNZPJAN-UHFFFAOYSA-N
SMILES N1=C(C2=CC=C(CBr)C=C2)N=C(C2=CC=C(CBr)C=C2)N=C1C1=CC=C(CBr)C=C1

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