67762-27-0 Purity
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Specification
The molecular formula of Methyl 5-bromopent-2-enoate is C6H9BrO2.
The molecular weight of Methyl 5-bromopent-2-enoate is 193.04 g/mol.
The IUPAC name of Methyl 5-bromopent-2-enoate is methyl (E)-5-bromopent-2-enoate.
The InChI of Methyl 5-bromopent-2-enoate is InChI=1S/C6H9BrO2/c1-9-6(8)4-2-3-5-7/h2,4H,3,5H2,1H3/b4-2+.
The InChIKey of Methyl 5-bromopent-2-enoate is ICTLWQNQOIULKS-DUXPYHPUSA-N.
The canonical SMILES of Methyl 5-bromopent-2-enoate is COC(=O)C=CCCBr.
The isomeric SMILES of Methyl 5-bromopent-2-enoate is COC(=O)/C=C/CCBr.
The CAS number of Methyl 5-bromopent-2-enoate is 67810-57-5.
The DSSTox Substance ID of Methyl 5-bromopent-2-enoate is DTXSID80420929.
Methyl 5-bromopent-2-enoate has 4 rotatable bonds.