2-[2-(azidomethyl)-4-chloranyl-phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-[2-(azidomethyl)-4-chloranyl-phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 2-[2-(azidomethyl)-4-chloro-phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 2-[2-(azidomethyl)-4-chlorophenyl]-5-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-[2-(azidomethyl)-4-chlorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 2-[2-(azidomethyl)-4-chloro-phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C12H7ClF3N5O2 MolecularWeight: 345.66449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CN=[N+]=[N-])N2C(=CC(=N2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)CN=[N+]=[N-])N2C(=CC(=N2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H7ClF3N5O2/c13-7-1-2-8(6(3-7)5-18-20-17)21-9(11(22)23)4-10(19-21)12(14,15)16/h1-4H,5H2,(H,22,23)