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The molecular formula is C13H17BrO.
The molecular weight is 269.18 g/mol.
The IUPAC name is 1-(4-bromophenyl)heptan-1-one.
The InChIKey is LDVBFPQTLJKTLV-UHFFFAOYSA-N.
It has 0 hydrogen bond donor counts.
It has 1 hydrogen bond acceptor count.
The topological polar surface area is 17.1 Å2.
It has 6 rotatable bond counts.
Yes, it is a canonicalized compound.
The exact mass is 268.04628 g/mol.
The InChI is InChI=1S/C13H17BrO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10H,2-6H2,1H3.
The Canonical SMILES is CCCCCCC(=O)C1=CC=C(C=C1)Br.
The CAS number is 99474-02-9.
The XLogP3-AA value is 4.7.
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99473-14-0
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