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The IUPAC name of the compound is methyl 4-bromo-2-methylbenzoate.
The molecular formula of the compound is C9H9BrO2.
The molecular weight of the compound is 229.07 g/mol.
The InChI of the compound is InChI=1S/C9H9BrO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,1-2H3.
The InChIKey of the compound is CYEXEOXALMJXDI-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CC1=C(C=CC(=C1)Br)C(=O)OC.
The CAS number of the compound is 99548-55-7.
The XLogP3 value of the compound is 3.4.
The compound has 0 hydrogen bond donor count.
The compound has 2 rotatable bond counts.
99295-78-0
518057-63-1
929617-35-6
99725-13-0
99910-50-6
99931-82-5
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