CAS
626-40-4 Purity
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626-40-4 Purity
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The molecular formula is C9H9BrO.
The molecular weight is 213.07 g/mol.
The IUPAC name is 1-(3-bromophenyl)propan-1-one.
The InChI is InChI=1S/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3.
The InChIKey is QSHLXVTVXQTHBS-UHFFFAOYSA-N.
It has 0 hydrogen bond donor counts.
The exact mass is 211.98368 g/mol.
It has 2 rotatable bond counts.
The topological polar surface area is 17.1Ų.
Yes, it is a canonicalized compound.