1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-fluorophenyl)-5-phenyl-
Basic information
- CAS
96723-22-7- Standard SMILES
O=C(O)c1nn(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)O- InChIKey
GGGGEYIHGXAZNL-UHFFFAOYSA-N- Molecular formula
- C17H11FN2O4
- Average molar mass
- 326.28 g/mol
- Monoisotopic mass
- 326.070285
Names & identifiers
- Preferred name
- 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-fluorophenyl)-5-phenyl-
- IUPAC
- 1-(4-fluorophenyl)-5-phenylpyrazole-3,4-dicarboxylic acid
Names & synonyms
1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-fluorophenyl)-5-phenyl-96723-22-7DTXSID002424631-(4-Fluorophenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylic acid
Database identifiers
- CAS
96723-22-7- PubChem CID
- 178907
- DTXSID
DTXSID00242463
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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