Basic information
- CAS
6972-10-7- Standard SMILES
Nc1nc(N)nc(Nc2ccc(Br)c(Br)c2)n1- InChIKey
LRSYVTUKPTZWDM-UHFFFAOYSA-N- Molecular formula
- C9H8Br2N6
- Average molar mass
- 360.01 g/mol
- Monoisotopic mass
- 357.91772
Names & identifiers
- Preferred name
- 2-N-(3,4-dibromophenyl)-1,3,5-triazine-2,4,6-triamine
- IUPAC
- 2-N-(3,4-dibromophenyl)-1,3,5-triazine-2,4,6-triamine
Names & synonyms
6972-10-7NSC67245DTXSID70989878NSC-67245DS-0082691,3,5-Triazine-2,4,6-triamine,n2-(3,4-dibromophenyl)-N~2~-(3,4-Dibromophenyl)-1,3,5-triazinane-2,4,6-triimine
Database identifiers
- CAS
6972-10-7- PubChem CID
- 249191
- DTXSID
DTXSID70989878
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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