3-[(3-chloranyl-4-fluoranyl-phenyl)amino]propanenitrile

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)amino]propanenitrile Openeye Name: 3-(3-chloro-4-fluoro-anilino)propanenitrile CAS Name: 3-(3-chloro-4-fluoroanilino)propanenitrile IUPAC Name: 3-(3-chloro-4-fluoroanilino)propanenitrile Traditional Name: 3-(3-chloro-4-fluoro-anilino)propionitrile Formula: C9H8ClFN2 MolecularWeight: 198.624623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCCC#N)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NCCC#N)Cl)F

InChI

InChI=1S/C9H8ClFN2/c10-8-6-7(2-3-9(8)11)13-5-1-4-12/h2-3,6,13H,1,5H2