2-(3-chloranyl-4-pyrazol-1-yl-phenyl)butanoic acid

Systemtic Name: 2-(3-chloranyl-4-pyrazol-1-yl-phenyl)butanoic acid Openeye Name: 2-(3-chloro-4-pyrazol-1-yl-phenyl)butanoic acid CAS Name: 2-[3-chloro-4-(1-pyrazolyl)phenyl]butanoic acid IUPAC Name: 2-(3-chloro-4-pyrazol-1-ylphenyl)butanoic acid Traditional Name: 2-(3-chloro-4-pyrazol-1-yl-phenyl)butyric acid Formula: C13H13ClN2O2 MolecularWeight: 264.70752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)N2C=CC=N2)Cl)C(=O)O

Isomeric SMILES

CCC(C1=CC(=C(C=C1)N2C=CC=N2)Cl)C(=O)O

InChI

InChI=1S/C13H13ClN2O2/c1-2-10(13(17)18)9-4-5-12(11(14)8-9)16-7-3-6-15-16/h3-8,10H,2H2,1H3,(H,17,18)