2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(2-methylpropyl)azaniumyl]ethanoate

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(2-methylpropyl)azaniumyl]ethanoate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl-isobutyl-ammonio]acetate CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl-(2-methylpropyl)ammonio]acetate IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl-(2-methylpropyl)azaniumyl]acetate Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)-isobutyl-ammonio]acetate Formula: C13H17ClFNO2 MolecularWeight: 273.730983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC=C1Cl)F)CC(=O)[O-]

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC=C1Cl)F)CC(=O)[O-]

InChI

InChI=1S/C13H17ClFNO2/c1-9(2)6-16(8-13(17)18)7-10-11(14)4-3-5-12(10)15/h3-5,9H,6-8H2,1-2H3,(H,17,18)