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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-propan-2-yl-azaniumyl]ethanoate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl-isopropyl-ammonio]acetate CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylammonio]acetate IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylazaniumyl]acetate Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)-isopropyl-ammonio]acetate Formula: C12H15ClFNO2 MolecularWeight: 259.704403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClFNO2/c1-8(2)15(7-12(16)17)6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,16,17)