2674-34-2 Purity
98%
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The molecular formula of Methyl 2-bromo-5-chlorobenzoate is C8H6BrClO2.
The molecular weight of Methyl 2-bromo-5-chlorobenzoate is 249.49 g/mol.
The IUPAC name of Methyl 2-bromo-5-chlorobenzoate is methyl 2-bromo-5-chlorobenzoate.
The InChI of Methyl 2-bromo-5-chlorobenzoate is InChI=1S/C8H6BrClO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3.
The InChIKey of Methyl 2-bromo-5-chlorobenzoate is BIECSXCXIXHDBC-UHFFFAOYSA-N.
The canonical SMILES of Methyl 2-bromo-5-chlorobenzoate is COC(=O)C1=C(C=CC(=C1)Cl)Br.
The other identifiers associated with Methyl 2-bromo-5-chlorobenzoate include CAS number: 27007-53-0, European Community (EC) Number: 640-830-6, DSSTox Substance ID: DTXSID70299702, Nikkaji Number: J340.470F, NSC Number: 132246, and Wikidata: Q72488442.
The XLogP3 value of Methyl 2-bromo-5-chlorobenzoate is 4.1.
Yes, Methyl 2-bromo-5-chlorobenzoate is a canonicalized compound.