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

Systemtic Name: 4-bromanyl-1-propyl-pyrazole-3-carboxylic acid Openeye Name: 4-bromo-1-propyl-pyrazole-3-carboxylic acid CAS Name: 4-bromo-1-propyl-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-1-propylpyrazole-3-carboxylic acid Traditional Name: 4-bromo-1-propyl-pyrazole-3-carboxylic acid Formula: C7H9BrN2O2 MolecularWeight: 233.06256

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C(=O)O)Br

Isomeric SMILES

CCCN1C=C(C(=N1)C(=O)O)Br

InChI

InChI=1S/C7H9BrN2O2/c1-2-3-10-4-5(8)6(9-10)7(11)12/h4H,2-3H2,1H3,(H,11,12)