CAS
92513-40-1 Purity
96%
92513-40-1 Purity
96%
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Specification
The molecular formula is C11H6BrNO4.
It was first created on 2007-02-08.
The IUPAC name is 6-bromoquinoline-2,3-dicarboxylic acid.
The Canonical SMILES is C1=CC2=NC(=C(C=C2C=C1Br)C(=O)O)C(=O)O.
There are 2 hydrogen bond donor counts.
The topological polar surface area is 87.5 Ų.
Yes, it is a canonicalized compound.
There are 0 defined atom stereocenter counts.
The XLogP3-AA value is 2.3.
The complexity value is 335.