4-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(3-chloro-4-fluoro-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(3-chloro-4-fluorophenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-chloro-4-fluorophenyl)piperazine-1-carboxylic acid Traditional Name: 4-(3-chloro-4-fluoro-phenyl)piperazine-1-carboxylic acid Formula: C11H12ClFN2O2 MolecularWeight: 258.676583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C11H12ClFN2O2/c12-9-7-8(1-2-10(9)13)14-3-5-15(6-4-14)11(16)17/h1-2,7H,3-6H2,(H,16,17)