(2S)-2-azanyl-2-(3-bromanyl-4-fluoranyl-phenyl)ethanenitrile

Systemtic Name: (2S)-2-azanyl-2-(3-bromanyl-4-fluoranyl-phenyl)ethanenitrile Openeye Name: (2S)-2-amino-2-(3-bromo-4-fluoro-phenyl)acetonitrile CAS Name: (2S)-2-amino-2-(3-bromo-4-fluorophenyl)acetonitrile IUPAC Name: (2S)-2-amino-2-(3-bromo-4-fluorophenyl)acetonitrile Traditional Name: (2S)-2-amino-2-(3-bromo-4-fluoro-phenyl)acetonitrile Formula: C8H6BrFN2 MolecularWeight: 229.049043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C#N)N)Br)F

Isomeric SMILES

C1=CC(=C(C=C1[C@@H](C#N)N)Br)F

InChI

InChI=1S/C8H6BrFN2/c9-6-3-5(8(12)4-11)1-2-7(6)10/h1-3,8H,12H2/t8-/m1/s1