1006-41-3 Purity
98%
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Specification
The molecular formula is C8H9BrO.
The molecular weight is 201.06 g/mol.
The IUPAC Name is (1S)-1-(4-bromophenyl)ethanol.
The InChI is InChI=1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1.
The InChIKey is XTDTYSBVMBQIBT-LURJTMIESA-N.
The canonical SMILES is CC(C1=CC=C(C=C1)Br)O.
The Isomeric SMILES is C[C@@H](C1=CC=C(C=C1)Br)O.
The CAS number is 100760-04-1.
The European Community (EC) Number is 624-000-0.
Yes, (S)-1-(4-Bromophenyl)ethanol is considered a canonicalized compound according to PubChem.