2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylic acid tetrafluoroborate

Systemtic Name: 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylic acid tetrafluoroborate Openeye Name: 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylic acid tetrafluoroborate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrazol-2-iumcarboxylic acid tetrafluoroborate IUPAC Name: 2,5-dimethyl-1-phenylpyrazol-2-ium-3-carboxylic acid tetrafluoroborate Traditional Name: 2,5-dimethyl-1-phenyl-pyrazol-2-ium-3-carboxylic acid tetrafluoroborate Formula: C12H13BF4N2O2 MolecularWeight: 304.048433

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC(=[N+](N1C2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC(=[N+](N1C2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C12H12N2O2.BF4/c1-9-8-11(12(15)16)13(2)14(9)10-6-4-3-5-7-10;2-1(3,4)5/h3-8H,1-2H3;/q;-1/p+1