Basic information
- CAS
299463-57-3- Standard SMILES
Fc1ccc(-n2ncc(-c3nnnn3-c3ccccc3)c2C(F)(F)F)cc1- InChIKey
FGNBLTLNINZPEI-UHFFFAOYSA-N- Molecular formula
- C17H10F4N6
- Average molar mass
- 374.29 g/mol
- Monoisotopic mass
- 374.09030699
Names & identifiers
- Preferred name
- 5-[1-(4-Fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole
- IUPAC
- 5-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazole
- English name
- 5-[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
- Molecular formula
- C17H10F4N6
- Molecular weight
- 374.3
Names & synonyms
299463-57-35-[1-(4-Fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetrazole5-[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole5-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyltetrazoleDTXSID001133777AKOS024370715ST51006581AG-401/371310015-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-phenyl-1,2,3,4-tetraa zole1H-Tetrazole, 5-[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-phenyl-
Database identifiers
- CAS
299463-57-3- PubChem CID
- 2818436
- DTXSID
DTXSID001133777
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Boiling point
- 507.9 · 507.9±60.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- -0.14 · -0.14±0.10(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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