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Specification
The molecular formula of 2-Bromo-3-fluorobenzoic acid methyl ester is C8H6BrFO2.
The synonyms of 2-Bromo-3-fluorobenzoic acid methyl ester are Methyl 2-bromo-3-fluorobenzoate, Benzoic acid, 2-bromo-3-fluoro-, methyl ester, and MFCD10000921.
The molecular weight of 2-Bromo-3-fluorobenzoic acid methyl ester is 233.03 g/mol.
The IUPAC name of 2-Bromo-3-fluorobenzoic acid methyl ester is methyl 2-bromo-3-fluorobenzoate.
The InChI of 2-Bromo-3-fluorobenzoic acid methyl ester is InChI=1S/C8H6BrFO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,1H3.
The InChIKey of 2-Bromo-3-fluorobenzoic acid methyl ester is UDCCTNIBELHUQN-UHFFFAOYSA-N.
The canonical SMILES of 2-Bromo-3-fluorobenzoic acid methyl ester is COC(=O)C1=C(C(=CC=C1)F)Br.
2-Bromo-3-fluorobenzoic acid methyl ester has 0 hydrogen bond donor counts.
2-Bromo-3-fluorobenzoic acid methyl ester has 3 hydrogen bond acceptor counts.
2-Bromo-3-fluorobenzoic acid methyl ester has 2 rotatable bond counts.