64696-98-6

Name Solvent Brown 53
CAS 64696-98-6
EINECS(EC#) 265-022-7
Molecular Formula C18H10N4NiO2
Molecular Weight 373
MOL File 64696-98-6.mol
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Chemical Properties

density  1.615g/cm3 at 25℃
form  Powder
InChI InChI=1S/C18H12N4O2.Ni/c19-9-15(21-11-13-5-1-3-7-17(13)23)16(10-20)22-12-14-6-2-4-8-18(14)24;/h1-8,11-12,23-24H;/q;+2/p-2/b16-15-,21-11+,22-12+;
InChIKey LWJXGIDVJYVQKD-CEPYMJGESA-L
SMILES C(C1=C(N2=CC3=CC=CC=C3[O-][Ni+2]32[O-]C2C=CC=CC=2C=N13)C#N)#N
LogP 2.59 at 23℃ and pH7

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