4-[(2-chloranyl-4-fluoranyl-phenyl)methylazaniumyl]butanoate

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methylazaniumyl]butanoate Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methylammonio]butanoate CAS Name: 4-[(2-chloro-4-fluorophenyl)methylammonio]butanoate IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methylazaniumyl]butanoate Traditional Name: 4-[(2-chloro-4-fluoro-benzyl)ammonio]butyrate Formula: C11H13ClFNO2 MolecularWeight: 245.677823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)C[NH2+]CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)C[NH2+]CCCC(=O)[O-]

InChI

InChI=1S/C11H13ClFNO2/c12-10-6-9(13)4-3-8(10)7-14-5-1-2-11(15)16/h3-4,6,14H,1-2,5,7H2,(H,15,16)