| Identification | Back 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 Properties | Back 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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