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The molecular formula is C16H25BrO.
The molecular weight is 313.27 g/mol.
The IUPAC name is 4-(6-bromohexoxy)butylbenzene.
The InChI is InChI=1S/C16H25BrO/c17-13-7-1-2-8-14-18-15-9-6-12-16-10-4-3-5-11-16/h3-5,10-11H,1-2,6-9,12-15H2.
The InChIKey is HYRIAERKUPZOCS-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)CCCCOCCCCCCBr.
The CAS number is 94749-73-2.
The compound does not have any hydrogen bond donor counts.
The compound has 1 hydrogen bond acceptor count.
The compound has 11 rotatable bond counts.
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