5-bromanyl-4-chloranyl-1-ethyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-bromanyl-4-chloranyl-1-ethyl-pyrazole-3-carboxylic acid Openeye Name: 5-bromo-4-chloro-1-ethyl-pyrazole-3-carboxylic acid CAS Name: 5-bromo-4-chloro-1-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 5-bromo-4-chloro-1-ethylpyrazole-3-carboxylic acid Traditional Name: 5-bromo-4-chloro-1-ethyl-pyrazole-3-carboxylic acid Formula: C6H6BrClN2O2 MolecularWeight: 253.48104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C(=O)O)Cl)Br

Isomeric SMILES

CCN1C(=C(C(=N1)C(=O)O)Cl)Br

InChI

InChI=1S/C6H6BrClN2O2/c1-2-10-5(7)3(8)4(9-10)6(11)12/h2H2,1H3,(H,11,12)