5-chloranyl-2-fluoranyl-N-heptan-2-yl-aniline

Systemtic Name: 5-chloranyl-2-fluoranyl-N-heptan-2-yl-aniline Openeye Name: 5-chloro-2-fluoro-N-(1-methylhexyl)aniline CAS Name: 5-chloro-2-fluoro-N-heptan-2-ylaniline IUPAC Name: 5-chloro-2-fluoro-N-heptan-2-ylaniline Traditional Name: (5-chloro-2-fluoro-phenyl)-(1-methylhexyl)amine Formula: C13H19ClFN MolecularWeight: 243.748063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=C(C=CC(=C1)Cl)F

Isomeric SMILES

CCCCCC(C)NC1=C(C=CC(=C1)Cl)F

InChI

InChI=1S/C13H19ClFN/c1-3-4-5-6-10(2)16-13-9-11(14)7-8-12(13)15/h7-10,16H,3-6H2,1-2H3