1h-pyrazole-3,4-dicarboxylic Acid, 1-(3,5-bis(trifloromethyl)phenyl)-5-phenyl-
Basic information
- CAS
96734-55-3- Standard SMILES
O=C(O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccccc2)c1C(=O)O- InChIKey
QISONVKODFXUJV-UHFFFAOYSA-N- Molecular formula
- C19H10F6N2O4
- Average molar mass
- 444.3 g/mol
- Monoisotopic mass
- 444.05447578
Names & identifiers
- Preferred name
- 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3,5-bis(trifloromethyl)phenyl)-5-phenyl-
- IUPAC
- 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenylpyrazole-3,4-dicarboxylic acid
Names & synonyms
1h-pyrazole-3,4-dicarboxylic Acid, 1-(3,5-bis(trifloromethyl)phenyl)-5-phenyl-96734-55-3DTXSID002424831-[3,5-Bis(trifluoromethyl)phenyl]-5-phenyl-1H-pyrazole-3,4-dicarboxylic acid
Database identifiers
- CAS
96734-55-3- PubChem CID
- 176571
- DTXSID
DTXSID00242483
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 657
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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