Basic information
- CAS
457068-86-9- Standard SMILES
OCC(O)COc1nc(C(Br)(Br)Br)nc(C(Br)(Br)Br)n1- InChIKey
NWFPDBOPZRKQSC-UHFFFAOYSA-N- Molecular formula
- C8H7Br6N3O3
- Average molar mass
- 672.6 g/mol
- Monoisotopic mass
- 666.55877
Names & identifiers
- Preferred name
- 3-{[4,6-Bis(tribromomethyl)-1,3,5-triazin-2-yl]oxy}propane-1,2-diol
- IUPAC
- 3-[[4,6-bis(tribromomethyl)-1,3,5-triazin-2-yl]oxy]propane-1,2-diol
Names & synonyms
457068-86-93-{[4,6-Bis(tribromomethyl)-1,3,5-triazin-2-yl]oxy}propane-1,2-diolDTXSID50786589
Database identifiers
- CAS
457068-86-9- PubChem CID
- 71362995
- DTXSID
DTXSID50786589
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…