1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid hydrate

Systemtic Name: 1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid hydrate Openeye Name: 1-(m-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid hydrate CAS Name: 1-(3-methylphenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid hydrate IUPAC Name: 1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid hydrate Traditional Name: 1-(m-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid hydrate Formula: C12H11F3N2O3 MolecularWeight: 288.22255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F.O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F.O

InChI

InChI=1S/C12H9F3N2O2.H2O/c1-7-3-2-4-8(5-7)17-10(12(13,14)15)9(6-16-17)11(18)19;/h2-6H,1H3,(H,18,19);1H2