5-(bromomethyl)-1-tert-butyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(bromomethyl)-1-tert-butyl-pyrazole-4-carboxylic acid Openeye Name: 5-(bromomethyl)-1-tert-butyl-pyrazole-4-carboxylic acid CAS Name: 5-(bromomethyl)-1-tert-butyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(bromomethyl)-1-tert-butylpyrazole-4-carboxylic acid Traditional Name: 5-(bromomethyl)-1-tert-butyl-pyrazole-4-carboxylic acid Formula: C9H13BrN2O2 MolecularWeight: 261.11572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)C(=O)O)CBr

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)C(=O)O)CBr

InChI

InChI=1S/C9H13BrN2O2/c1-9(2,3)12-7(4-10)6(5-11-12)8(13)14/h5H,4H2,1-3H3,(H,13,14)