5-(3-chloranyl-4-fluoranyl-phenyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(3-chloranyl-4-fluoranyl-phenyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(3-chloro-4-fluoro-phenyl)benzene-1,3-dicarboxylic acid CAS Name: 5-(3-chloro-4-fluorophenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(3-chloro-4-fluorophenyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(3-chloro-4-fluoro-phenyl)isophthalic acid Formula: C14H8ClFO4 MolecularWeight: 294.662323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl)F

InChI

InChI=1S/C14H8ClFO4/c15-11-6-7(1-2-12(11)16)8-3-9(13(17)18)5-10(4-8)14(19)20/h1-6H,(H,17,18)(H,19,20)