The molecular formula of the compound is C26H18BrN3O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 484.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-bromo-5-nitro-1-tritylindazole.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C26H18BrN3O2/c27-25-23-18-22(30(31)32)16-17-24(23)29(28-25)26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H.
What is the InChIKey of the compound?
The InChIKey of the compound is PDUHZXZECHMGLL-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C5=C(C=C(C=C5)[N+](=O)[O-])C(=N4)Br.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 7.2.
How many hydrogen bond donor atoms are present in the compound?
There are 0 hydrogen bond donor atoms present in the compound.
How many hydrogen bond acceptor atoms are present in the compound?
There are 3 hydrogen bond acceptor atoms present in the compound.
How many rotatable bonds are present in the compound?
There are 4 rotatable bonds present in the compound.
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