1-[4-(chloromethyl)-2-fluoranyl-phenyl]azepane

Systemtic Name: 1-[4-(chloromethyl)-2-fluoranyl-phenyl]azepane Openeye Name: 1-[4-(chloromethyl)-2-fluoro-phenyl]azepane CAS Name: 1-[4-(chloromethyl)-2-fluorophenyl]azepane IUPAC Name: 1-[4-(chloromethyl)-2-fluorophenyl]azepane Traditional Name: 1-[4-(chloromethyl)-2-fluoro-phenyl]azepane Formula: C13H17ClFN MolecularWeight: 241.732183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)CCl)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)CCl)F

InChI

InChI=1S/C13H17ClFN/c14-10-11-5-6-13(12(15)9-11)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2