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The PubChem CID of 2-Bromo-5-methylbenzoic acid is 228080.
The molecular formula of 2-Bromo-5-methylbenzoic acid is C8H7BrO2.
The molecular weight of 2-Bromo-5-methylbenzoic acid is 215.04 g/mol.
The IUPAC name of 2-Bromo-5-methylbenzoic acid is computed by Lexichem TK 2.7.0.
The InChI of 2-Bromo-5-methylbenzoic acid is "InChI=1S/C8H7BrO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)".
The InChIKey of 2-Bromo-5-methylbenzoic acid is "ZXMISUUIYPFORW-UHFFFAOYSA-N".
The canonical SMILES representation of 2-Bromo-5-methylbenzoic acid is "CC1=CC(=C(C=C1)Br)C(=O)O".
The CAS number of 2-Bromo-5-methylbenzoic acid is 6967-82-4.
The XLogP3 value of 2-Bromo-5-methylbenzoic acid is 3.3.
Yes, 2-Bromo-5-methylbenzoic acid is a canonicalized compound.
695-96-5
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6968-24-7
697299-87-9
66728-98-1
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