Basic information
- CAS
30101-85-0- Standard SMILES
[N-]=[N+]=Nc1ccc(Br)cc1-c1nc(N)nc(N)n1- InChIKey
GRWKHXSVNGHPNE-UHFFFAOYSA-N- Molecular formula
- C9H7BrN8
- Average molar mass
- 307.11 g/mol
- Monoisotopic mass
- 305.9977
Names & identifiers
- Preferred name
- 6-(2-Azido-5-bromophenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(2-azido-5-bromophenyl)-1,3,5-triazine-2,4-diamine
Names & synonyms
30101-85-06-(2-azido-5-bromophenyl)-1,3,5-triazine-2,4-diamineDTXSID50398323NSC126123NSC-126123
Database identifiers
- CAS
30101-85-0- PubChem CID
- 3973642
- DTXSID
DTXSID50398323
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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