54231-33-3 Purity
98%
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The molecular formula of Benzyl 2-bromoacetate is C9H9BrO2.
The molecular weight of Benzyl 2-bromoacetate is 229.07 g/mol.
The IUPAC name of Benzyl 2-bromoacetate is benzyl 2-bromoacetate.
The InChIKey of Benzyl 2-bromoacetate is JHVLLYQQQYIWKX-UHFFFAOYSA-N.
The Canonical SMILES of Benzyl 2-bromoacetate is C1=CC=C(C=C1)COC(=O)CBr.
The CAS number of Benzyl 2-bromoacetate is 5437-45-6.
The XLogP3 value of Benzyl 2-bromoacetate is 2.8.
Benzyl 2-bromoacetate has 2 hydrogen bond acceptors.
Benzyl 2-bromoacetate has 4 rotatable bonds.
Yes, Benzyl 2-bromoacetate is a canonicalized compound.