5-[(3-bromophenyl)methyl]-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-[(3-bromophenyl)methyl]-1H-pyrazole-3-carboxylic acid Openeye Name: 5-[(3-bromophenyl)methyl]-1H-pyrazole-3-carboxylic acid CAS Name: 5-[(3-bromophenyl)methyl]-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-[(3-bromophenyl)methyl]-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(3-bromobenzyl)-1H-pyrazole-3-carboxylic acid Formula: C11H9BrN2O2 MolecularWeight: 281.10536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CC2=CC(=NN2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CC2=CC(=NN2)C(=O)O

InChI

InChI=1S/C11H9BrN2O2/c12-8-3-1-2-7(4-8)5-9-6-10(11(15)16)14-13-9/h1-4,6H,5H2,(H,13,14)(H,15,16)