1-(4-isocyanatophenyl)-3,5-bis(trifluoromethyl)pyrazole

Systemtic Name: 1-(4-isocyanatophenyl)-3,5-bis(trifluoromethyl)pyrazole Openeye Name: 1-(4-isocyanatophenyl)-3,5-bis(trifluoromethyl)pyrazole CAS Name: 1-(4-isocyanatophenyl)-3,5-bis(trifluoromethyl)pyrazole IUPAC Name: 1-(4-isocyanatophenyl)-3,5-bis(trifluoromethyl)pyrazole Traditional Name: 1-(4-isocyanatophenyl)-3,5-bis(trifluoromethyl)pyrazole Formula: C12H5F6N3O MolecularWeight: 321.178019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=O)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1N=C=O)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H5F6N3O/c13-11(14,15)9-5-10(12(16,17)18)21(20-9)8-3-1-7(2-4-8)19-6-22/h1-5H