Basic information
- CAS
96723-17-0- Standard SMILES
O=C(O)c1nn(-c2ccc(Cl)c(C(F)(F)F)c2)c(-c2ccccc2)c1C(=O)O- InChIKey
MZGSQRVMAHZZOI-UHFFFAOYSA-N- Molecular formula
- C18H10ClF3N2O4
- Average molar mass
- 410.7 g/mol
- Monoisotopic mass
- 410.028119
Names & identifiers
- Preferred name
- 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-chloro-3-(trifluoromethylphenyl))-5-phenyl-
- IUPAC
- 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-phenylpyrazole-3,4-dicarboxylic acid
Names & synonyms
1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-chloro-3-(trifluoromethylphenyl))-5-phenyl-96723-17-0DTXSID502424581-[4-Chloro-3-(trifluoromethyl)phenyl]-5-phenyl-1H-pyrazole-3,4-dicarboxylic acid
Database identifiers
- CAS
96723-17-0- PubChem CID
- 178902
- DTXSID
DTXSID50242458
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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