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The molecular formula is C8H6BrFO2.
The molecular weight is 233.03 g/mol.
The IUPAC name is 4-bromo-2-fluoro-5-methylbenzoic acid.
The InChI is InChI=1S/C8H6BrFO2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3H,1H3,(H,11,12).
The InChIKey is PJJJBQHQICIYJH-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=C(C=C1Br)F)C(=O)O.
The CAS number is 415965-24-1.
The XLogP3-AA value is 2.6.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.
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