CAS
3391-10-4 Purity
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3391-10-4 Purity
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Specification
The molecular formula is C8H9BrO2.
The molecular weight is 217.06 g/mol.
The IUPAC name is 2-(4-bromophenoxy)ethanol.
The InChI is InChI=1S/C8H9BrO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2.
The Canonical SMILES is C1=CC(=CC=C1OCCO)Br.
The CAS number is 34743-88-9.
There is 1 hydrogen bond donor count.
The topological polar surface area is 29.5 Ų.
Yes, the compound is canonicalized.
The complexity is 100.