4-Bromo-2,6-dinitrophenyl acetaldehyde
Basic information
- CAS
1000340-99-7- Standard SMILES
O=CCc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-]- InChIKey
DAKCHEYGKGCSKM-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2O5
- Average molar mass
- 289.04 g/mol
- Monoisotopic mass
- 287.93818
Names & identifiers
- Preferred name
- 4-Bromo-2,6-dinitrophenyl acetaldehyde
- IUPAC
- 2-(4-bromo-2,6-dinitrophenyl)acetaldehyde
- English name
- 4-Bromo-2,6-dinitrophenyl acetaldehyde
- Molecular formula
- C8H5BrN2O5
- Molecular weight
- 289.04
Names & synonyms
1000340-99-74-Bromo-2,6-dinitrophenyl acetaldehyde2-(4-bromo-2,6-dinitrophenyl)acetaldehydeBenzeneacetaldehyde, 4-bromo-2,6-dinitro-DTXSID0012848794-Bromo-2,6-dinitrobenzeneacetaldehyde(4-Bromo-2,6-dinitrophenyl)acetaldehyde
Database identifiers
- CAS
1000340-99-7- PubChem CID
- 24729324
- DTXSID
DTXSID001284879
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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