3,5-Bis(4-bromophenyl)-1-phenyl-1,2,4-triazole
Basic information
- CAS
117594-19-1- Standard SMILES
Brc1ccc(-c2nc(-c3ccc(Br)cc3)n(-c3ccccc3)n2)cc1- InChIKey
HKDVNJUSVLHBGM-UHFFFAOYSA-N- Molecular formula
- C20H13Br2N3
- Average molar mass
- 455.1 g/mol
- Monoisotopic mass
- 452.94762
Names & identifiers
- Preferred name
- 3,5-Bis(4-bromophenyl)-1-phenyl-1,2,4-triazole
- IUPAC
- 3,5-bis(4-bromophenyl)-1-phenyl-1,2,4-triazole
Names & synonyms
NSC6986133,5-Bis(4-bromophenyl)-1-phenyl-1H-1,2,4-triazole3,5-bis(4-bromophenyl)-1-phenyl-1,2,4-triazole117594-19-1CHEMBL1984631SCHEMBL13921788DTXSID70327877NSC-698613NCI60_035310
Database identifiers
- CAS
117594-19-1- PubChem CID
- 394811
- DTXSID
DTXSID70327877- ChEMBL
CHEMBL1984631- Nikkaji
- J3.075.764E
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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