Basic information
- CAS
35011-53-1- Standard SMILES
Brc1nnc(-c2ccccc2)nn1- InChIKey
FMESVOTUQYIPJA-UHFFFAOYSA-N- Molecular formula
- C8H5BrN4
- Average molar mass
- 237.06 g/mol
- Monoisotopic mass
- 235.96976
Names & identifiers
- Preferred name
- 3-Bromo-6-phenyl-1,2,4,5-tetrazine
- IUPAC
- 3-bromo-6-phenyl-1,2,4,5-tetrazine
Names & synonyms
3-bromo-6-phenyl-1,2,4,5-tetrazine35011-53-1AKOS000147804EBC-5902075EN300-34651Z56791035
Database identifiers
- CAS
35011-53-1- PubChem CID
- 2305145
- EC Number
- 191-977-3
- Nikkaji
- J766.876G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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