Basic information
- CAS
313067-46-8- Standard SMILES
Brc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c(Br)c1- InChIKey
CJCREMQAXZBCRR-UHFFFAOYSA-N- Molecular formula
- C20H13Br2N3
- Average molar mass
- 455.1 g/mol
- Monoisotopic mass
- 452.94762
Names & identifiers
- Preferred name
- 4-(2,4-Dibromophenyl)-3,5-diphenyl-1,2,4-triazole
- IUPAC
- 4-(2,4-dibromophenyl)-3,5-diphenyl-1,2,4-triazole
Names & synonyms
4-(2,4-dibromophenyl)-3,5-diphenyl-4H-1,2,4-triazole313067-46-84-(2,4-dibromophenyl)-3,5-diphenyl-1,2,4-triazoleDTXSID701216762MFCD01470413AKOS001594056
Database identifiers
- CAS
313067-46-8- PubChem CID
- 2255153
- DTXSID
DTXSID701216762
Properties
Computed structural properties
- XLogP
- 5.8
- 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
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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