762287-59-2 Purity
98%
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The molecular formula is C6H5BClNO4.
The synonyms are 5-Borono-2-chloronicotinic acid, 5-borono-2-chloropyridine-3-carboxylic acid, and DTXSID501254469.
The molecular weight is 201.37 g/mol.
The IUPAC name is 5-borono-2-chloropyridine-3-carboxylic acid.
The InChI code is InChI=1S/C6H5BClNO4/c8-5-4(6(10)11)1-3(2-9-5)7(12)13/h1-2,12-13H,(H,10,11).
The InChIKey is BYEBVRVKFQUMBP-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(N=C1)Cl)C(=O)O)(O)O.
It has 3 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.
It has 2 rotatable bond counts.