1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)-
Basic information
- CAS
165397-57-9- Standard SMILES
CC(C)(C)c1n[nH]nc1C=Nc1ccc(F)cc1- InChIKey
UTUSCYWSHYEHBV-UHFFFAOYSA-N- Molecular formula
- C13H15FN4
- Average molar mass
- 246.28 g/mol
- Monoisotopic mass
- 246.12807466
Names & identifiers
- Preferred name
- 1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)-
- IUPAC
- 1-(5-tert-butyl-2H-triazol-4-yl)-N-(4-fluorophenyl)methanimine
- English name
- N-[(E)-(4-tert-Butyl-1H-1,2,3-triazol-5-yl)methylidene]-4-fluoroanilin e
- Molecular formula
- C13H15FN4
- Molecular weight
- 246.28
Names & synonyms
165397-57-9N-((4-(tert-Butyl)-1H-1,2,3-triazol-5-yl)methylene)-4-fluoroaniline1,2,3-Triazole, 4-tert-butyl-5-(4-fluorophenyliminomethyl)-AGN-PC-0LQEEGDTXSID00425577UTUSCYWSHYEHBV-OVCLIPMQSA-NST50990655N-[(5-tert-Butyl-4H-1,2,3-triazol-4-ylidene)methyl]-4-fluoroaniline5-[(1E)-2-(4-fluorophenyl)-2-azavinyl]-4-(tert-butyl)-1H-1,2,3-triazoleN-[(E)-(4-tert-Butyl-1H-1,2,3-triazol-5-yl)methylidene]-4-fluoroaniline #N-[(E)-(4-tert-Butyl-1H-1,2,3-triazol-5-yl)methylidene]-4-fluoroanilin eBenzenamine, N-[[4-(1,1-dimethylethyl)-1H-1,2,3-triazol-5-yl]methylene]-4-fluoro-
Database identifiers
- CAS
165397-57-9- PubChem CID
- 574028
- DTXSID
DTXSID00425577
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 415.6 · 415.6±40.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 7.13 · 7.13±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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