92487-68-8 Purity
96%
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The molecular formula is C15H10BrNO5.
It was created on 2009-05-28 and last modified on 2023-12-30.
The IUPAC Name is 5-bromo-2-[(2-carboxybenzoyl)amino]benzoic acid.
The InChI is InChI=1S/C15H10BrNO5/c16-8-5-6-12(11(7-8)15(21)22)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-7H,(H,17,18)(H,19,20)(H,21,22).
The InChIKey is CZHNRPOPMADPAK-UHFFFAOYSA-N.
It has 3 hydrogen bond donor counts.
The topological polar surface area is 104 Å^2.
The XLogP3-AA value is 3.1.
It has 4 rotatable bond counts.
Yes, the compound is canonicalized.