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2097938-53-7

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2097938-53-7 Structure

2097938-53-7 Structure
IdentificationBack Directory
[Name]

[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5,5'-di-1H-1,2,4-triazol-1-yl-
[CAS]

2097938-53-7
[Synonyms]

5,5'-di(1H-1,2,4-triazol-1-yl)-[1,1'-biphenyl]-3,3'-dicarboxylic acid
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5,5'-di-1H-1,2,4-triazol-1-yl-
[Molecular Formula]

C18H12N6O4
[MDL Number]

MFCD34469759
[MOL File]

2097938-53-7.mol
[Molecular Weight]

376.33
Chemical PropertiesBack Directory
[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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