4-bromanyl-1-butyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-bromanyl-1-butyl-pyrazole-3-carboxylic acid Openeye Name: 4-bromo-1-butyl-pyrazole-3-carboxylic acid CAS Name: 4-bromo-1-butyl-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-1-butylpyrazole-3-carboxylic acid Traditional Name: 4-bromo-1-butyl-pyrazole-3-carboxylic acid Formula: C8H11BrN2O2 MolecularWeight: 247.08914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=N1)C(=O)O)Br

Isomeric SMILES

CCCCN1C=C(C(=N1)C(=O)O)Br

InChI

InChI=1S/C8H11BrN2O2/c1-2-3-4-11-5-6(9)7(10-11)8(12)13/h5H,2-4H2,1H3,(H,12,13)