3-(4-bromanyl-3-methyl-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(4-bromanyl-3-methyl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(4-bromo-3-methyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(4-bromo-3-methylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(4-bromo-3-methylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(4-bromo-3-methyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C11H9BrN2O2 MolecularWeight: 281.10536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NNC(=C2)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NNC(=C2)C(=O)O)Br

InChI

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