4-[[(2-chloranyl-6-fluoranyl-phenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(2-chloranyl-6-fluoranyl-phenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(2-chloro-6-fluoro-phenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(2-chloro-6-fluorophenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(2-chloro-6-fluorophenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(2-chloro-6-fluoro-benzyl)ammonio]methyl]benzoate Formula: C15H13ClFNO2 MolecularWeight: 293.720623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])F

InChI

InChI=1S/C15H13ClFNO2/c16-13-2-1-3-14(17)12(13)9-18-8-10-4-6-11(7-5-10)15(19)20/h1-7,18H,8-9H2,(H,19,20)