4-(2-bromanyl-1-oxidanyl-ethyl)benzenecarbonitrile

Systemtic Name: 4-(2-bromanyl-1-oxidanyl-ethyl)benzenecarbonitrile Openeye Name: 4-(2-bromo-1-hydroxy-ethyl)benzonitrile CAS Name: 4-(2-bromo-1-hydroxyethyl)benzonitrile IUPAC Name: 4-(2-bromo-1-hydroxyethyl)benzonitrile Traditional Name: 4-(2-bromo-1-hydroxy-ethyl)benzonitrile Formula: C9H8BrNO MolecularWeight: 226.06992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(CBr)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(CBr)O

InChI

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