4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazine-1-carboxylic acid Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carboxylic acid CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carboxylic acid Traditional Name: 4-(2-chloro-6-fluoro-benzyl)piperazine-1-carboxylic acid Formula: C12H14ClFN2O2 MolecularWeight: 272.703163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)O

InChI

InChI=1S/C12H14ClFN2O2/c13-10-2-1-3-11(14)9(10)8-15-4-6-16(7-5-15)12(17)18/h1-3H,4-8H2,(H,17,18)