Basic information
- CAS
4185-53-9- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1- InChIKey
WJAMDVPZHYCFJH-UHFFFAOYSA-N- Molecular formula
- C6H2BrN3O6
- Average molar mass
- 292 g/mol
- Monoisotopic mass
- 290.9127
Names & identifiers
- Preferred name
- 2-Bromo-1,3,5-trinitrobenzene
- IUPAC
- 2-bromo-1,3,5-trinitrobenzene
Names & synonyms
2-Bromo-1,3,5-trinitrobenzene4185-53-9DTXSID40336456RefChem:1062415DTXCID90287545picryl bromideBenzene, 2-bromo-1,3,5-trinitro-SCHEMBL2085076WJAMDVPZHYCFJH-UHFFFAOYSA-N2-Bromo-1,3,5-trinitrobenzene #STL581795AKOS030222508
Show more names
2-Brom-1,3,5-trinitrobenzol (1. Form)ST50980552
Database identifiers
- CAS
4185-53-9- PubChem CID
- 533896
- DTXSID
DTXSID40336456- Nikkaji
- J605.526E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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