1-(3-bromophenyl)-3-tert-butyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-bromophenyl)-3-tert-butyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-3-tert-butyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-3-tert-butyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-3-tert-butylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-3-tert-butyl-pyrazole-4-carboxylic acid Formula: C14H15BrN2O2 MolecularWeight: 323.1851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1C(=O)O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)(C)C1=NN(C=C1C(=O)O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C14H15BrN2O2/c1-14(2,3)12-11(13(18)19)8-17(16-12)10-6-4-5-9(15)7-10/h4-8H,1-3H3,(H,18,19)