CAS
56962-04-0 Purity
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56962-04-0 Purity
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The molecular formula is C8H9BrO.
The molecular weight is 201.06 g/mol.
The IUPAC name is (1R)-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-/m1/s1.
The InChIKey is XTDTYSBVMBQIBT-ZCFIWIBFSA-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 76155-78-7.
The EC number is 623-309-8.
Yes, (R)-1-(4-Bromophenyl)ethanol is a canonicalized compound.