CAS
16365-27-8 Purity
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16365-27-8 Purity
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Specification
The molecular formula is C9H9Br.
The molecular weight is 197.07 g/mol.
The IUPAC name is 1-bromo-2-prop-2-enylbenzene.
The InChI is InChI=1S/C9H9Br/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7H,1,5H2.
The InChIKey is NTYPQDZCDDLKLV-UHFFFAOYSA-N.
The canonical SMILES is C=CCC1=CC=CC=C1Br.
The CAS number is 42918-20-7.
The EC number is 662-903-1.
The DSSTox Substance ID is DTXSID90341833.
Yes, it is canonicalized.