1-(3-Chloro-4-fluorophenyl)-4-phenyl-1H-1,2,3-triazole
Basic information
- CAS
1850268-55-1- Standard SMILES
Fc1ccc(-n2cc(-c3ccccc3)nn2)cc1Cl- InChIKey
PBMPVZGLLRNXNE-UHFFFAOYSA-N- Molecular formula
- C14H9ClFN3
- Average molar mass
- 273.69 g/mol
- Monoisotopic mass
- 273.0469032
Names & identifiers
- Preferred name
- 1-(3-Chloro-4-fluorophenyl)-4-phenyl-1H-1,2,3-triazole
- IUPAC
- 1-(3-chloro-4-fluorophenyl)-4-phenyltriazole
Names & synonyms
1-(3-chloro-4-fluorophenyl)-4-phenyl-1h-1,2,3-triazole1850268-55-1RefChem:224280DTXSID701209046
Database identifiers
- CAS
1850268-55-1- PubChem CID
- 129841004
- DTXSID
DTXSID701209046
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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