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The molecular formula is C11H13Br.
The molecular weight is 225.12 g/mol.
The IUPAC name is 1-bromo-2-(3-methylbut-3-enyl)benzene.
The InChI of the compound is InChI=1S/C11H13Br/c1-9(2)7-8-10-5-3-4-6-11(10)12/h3-6H,1,7-8H2,2H3.
The InChIKey of the compound is AYBPGVKOKLIVNY-UHFFFAOYSA-N.
The canonical SMILES is CC(=C)CCC1=CC=CC=C1Br.
The CAS number is 130955-17-8.
The Hydrogen Bond Donor Count is 0.
The Rotatable Bond Count is 3.
Yes, the compound is canonicalized.
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