13224-79-8 Purity
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Specification
The molecular formula is C15H11N9O.
The molecular weight is 333.31 g/mol.
The IUPAC name is 4-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide.
The InChI is InChI=1S/C15H11N9O/c25-15(11-3-1-9(2-4-11)13-17-21-22-18-13)16-12-7-5-10(6-8-12)14-19-23-24-20-14/h1-8H,(H,16,25)(H,17,18,21,22)(H,19,20,23,24).
The InChIKey is VXEBMQZDPONDFB-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC=C1C2=NNN=N2)C(=O)NC3=CC=C(C=C3)C4=NNN=N4.
The CAS number is 132640-22-3.
The ChEMBL ID is CHEMBL119549.
The hydrogen bond donor count is 3.
Yes, the compound is canonicalized.