Text Search
Structure Search

5,5'-bis(1,2,4-triazol-1-yl)-[1,1'-biphenyl]-3,3'-dicarboxylic acid

5,5'-bis(1,2,4-triazol-1-yl)-[1,1'-biphenyl]-3,3'-dicarboxylic acid

Formula: C18H12N6O4

SMILES: OC(=O)C1=CC(=CC(=C1)C1=CC(=CC(=C1)N1C=NC=N1)C(O)=O)N1C=NC=N1

IUPAC: 5,5'-bis(1H-1,2,4-triazol-1-yl)-[1,1'-biphenyl]-3,3'-dicarboxylic acid

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)

Composition: C (57.45%), H (3.21%), N (22.33%), O (17.01%)

Molar Mass: 376.332

Atom Count: 40

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 376.09200289
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey GJXSPTOJPFIENF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.78
Topological Polar Surface Area 136.02
Polarizability 38.32
Ring Count 4
Rotatable Bond Count 5

Suppliers

No suppliers are currently stocking this item.