3-(2-bromanyl-1-oxidanyl-ethyl)benzenecarbonitrile

Systemtic Name: 3-(2-bromanyl-1-oxidanyl-ethyl)benzenecarbonitrile Openeye Name: 3-(2-bromo-1-hydroxy-ethyl)benzonitrile CAS Name: 3-(2-bromo-1-hydroxyethyl)benzonitrile IUPAC Name: 3-(2-bromo-1-hydroxyethyl)benzonitrile Traditional Name: 3-(2-bromo-1-hydroxy-ethyl)benzonitrile Formula: C9H8BrNO MolecularWeight: 226.06992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CBr)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(CBr)O)C#N

InChI

InChI=1S/C9H8BrNO/c10-5-9(12)8-3-1-2-7(4-8)6-11/h1-4,9,12H,5H2