N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-ethynyl-aniline

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-ethynyl-aniline Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-3-ethynyl-aniline CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-3-ethynylaniline IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-3-ethynylaniline Traditional Name: (2-chloro-6-fluoro-benzyl)-(3-ethynylphenyl)amine Formula: C15H11ClFN MolecularWeight: 259.705943

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=C(C=CC=C2Cl)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C15H11ClFN/c1-2-11-5-3-6-12(9-11)18-10-13-14(16)7-4-8-15(13)17/h1,3-9,18H,10H2