2097938-53-7

Name [1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5,5'-di-1H-1,2,4-triazol-1-yl-
CAS 2097938-53-7
Molecular Formula C18H12N6O4
MDL Number MFCD34469759
Molecular Weight 376.33
MOL File 2097938-53-7.mol
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Chemical Properties

Boiling point  827.8±75.0 °C(Predicted)
density  1.58±0.1 g/cm3(Predicted)
pka 3.28±0.10(Predicted)
InChI InChI=1S/C18H12N6O4/c25-17(26)13-1-11(3-15(5-13)23-9-19-7-21-23)12-2-14(18(27)28)6-16(4-12)24-10-20-8-22-24/h1-10H,(H,25,26)(H,27,28)
InChIKey GJXSPTOJPFIENF-UHFFFAOYSA-N
SMILES C1(C2=CC(N3C=NC=N3)=CC(C(O)=O)=C2)=CC(N2C=NC=N2)=CC(C(O)=O)=C1

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