21586-25-4 Purity
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The molecular formula of 2-Bromo-4-methylbenzoic acid is C8H7BrO2.
The molecular weight of 2-Bromo-4-methylbenzoic acid is 215.04 g/mol.
The IUPAC name of 2-Bromo-4-methylbenzoic acid is 2-bromo-4-methylbenzoic acid.
The InChI of 2-Bromo-4-methylbenzoic acid is InChI=1S/C8H7BrO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11).
The InChIKey of 2-Bromo-4-methylbenzoic acid is ZZYYOHPHSYCHQG-UHFFFAOYSA-N.
The canonical SMILES of 2-Bromo-4-methylbenzoic acid is CC1=CC(=C(C=C1)C(=O)O)Br.
The CAS number of 2-Bromo-4-methylbenzoic acid is 7697-27-0.
The XLogP3 value of 2-Bromo-4-methylbenzoic acid is 3.5.
2-Bromo-4-methylbenzoic acid has 1 hydrogen bond donor count.
2-Bromo-4-methylbenzoic acid has 2 hydrogen bond acceptor counts.