tert-butyl 5-(bromomethyl)pyrazole-1-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13BrN2O2/c1-9(2,3)14-8(13)12-7(6-10)4-5-11-12/h4-5H,6H2,1-3H3