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The molecular formula is C8H6BrNO2.
The molecular weight is 228.04 g/mol.
The IUPAC name is 3-bromo-4-hydroxy-5-methoxybenzonitrile.
The InChI code is InChI=1S/C8H6BrNO2/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,11H,1H3.
The InChIKey is FHXLXRNDUJYBEQ-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C(=CC(=C1)C#N)Br)O.
The CAS number is 52805-45-5.
There is 1 hydrogen bond donor count.
There are 3 hydrogen bond acceptor counts.
3209-13-0
500-99-2
5150-42-5
620-17-7
621-42-1
622-62-8
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