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Specification
The IUPAC name of the compound is 1-(bromomethyl)-3-chloro-5-fluorobenzene.
The molecular formula of the compound is C7H5BrClF.
The molecular weight of the compound is 223.47 g/mol.
The InChI of the compound is InChI=1S/C7H5BrClF/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2.
The InChIKey of the compound is PKSAHOPFPPAUOD-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=C(C=C(C=C1F)Cl)CBr.
The CAS number of the compound is 493024-39-8.
The European Community (EC) number of the compound is 638-934-1.
The XLogP3-AA value of the compound is 3.2.
Yes, the compound is canonicalized.