4-bromanyl-1-(2-methylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-bromanyl-1-(2-methylpropyl)pyrazole-3-carboxylic acid Openeye Name: 4-bromo-1-isobutyl-pyrazole-3-carboxylic acid CAS Name: 4-bromo-1-(2-methylpropyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-1-(2-methylpropyl)pyrazole-3-carboxylic acid Traditional Name: 4-bromo-1-isobutyl-pyrazole-3-carboxylic acid Formula: C8H11BrN2O2 MolecularWeight: 247.08914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=N1)C(=O)O)Br

Isomeric SMILES

CC(C)CN1C=C(C(=N1)C(=O)O)Br

InChI

InChI=1S/C8H11BrN2O2/c1-5(2)3-11-4-6(9)7(10-11)8(12)13/h4-5H,3H2,1-2H3,(H,12,13)