5-chloranyl-1-(3-chloranyl-4-methyl-phenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(3-chloranyl-4-methyl-phenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(3-chloro-4-methyl-phenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(3-chloro-4-methyl-phenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C12H7Cl2F3N2O2 MolecularWeight: 339.09739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C(=O)O)Cl)Cl

InChI

InChI=1S/C12H7Cl2F3N2O2/c1-5-2-3-6(4-7(5)13)19-10(14)8(11(20)21)9(18-19)12(15,16)17/h2-4H,1H3,(H,20,21)