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4-[4-cyano-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid

4-[4-cyano-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid

Systemtic Name:4-[4-cyano-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid
Openeye Name:4-[4-cyano-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CAS Name:4-[4-cyano-5-(trifluoromethyl)-1-pyrazolyl]benzoic acid
IUPAC Name:4-[4-cyano-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid
Traditional Name:4-[4-cyano-5-(trifluoromethyl)pyrazol-1-yl]benzoic acid
Formula: C12H6F3N3O2
MolecularWeight: 281.19015
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=C(C=N2)C#N)C(F)(F)F


Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=C(C=N2)C#N)C(F)(F)F


InChI

InChI=1S/C12H6F3N3O2/c13-12(14,15)10-8(5-16)6-17-18(10)9-3-1-7(2-4-9)11(19)20/h1-4,6H,(H,19,20)


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