1-(4-bromanyl-3-methyl-phenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-bromo-3-methyl-phenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-bromo-3-methylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromo-3-methylphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-bromo-3-methyl-phenyl)pyrazole-3-carboxylic acid Formula: C11H9BrN2O2 MolecularWeight: 281.10536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CC(=N2)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CC(=N2)C(=O)O)Br

InChI

InChI=1S/C11H9BrN2O2/c1-7-6-8(2-3-9(7)12)14-5-4-10(13-14)11(15)16/h2-6H,1H3,(H,15,16)