2-Bromo-4,5-diethoxybenzaldehyde
Basic information
- CAS
91335-51-2- Standard SMILES
CCOc1cc(Br)c(C=O)cc1OCC- InChIKey
VUYKUJPMDHPGFA-UHFFFAOYSA-N- Molecular formula
- C11H13BrO3
- Average molar mass
- 273.12 g/mol
- Monoisotopic mass
- 272.00481
Names & identifiers
- Preferred name
- 2-Bromo-4,5-diethoxybenzaldehyde
- IUPAC
- 2-bromo-4,5-diethoxybenzaldehyde
- English name
- 2-Bromo-4,5-diethoxybenzaldehyde
- Molecular formula
- C11H13BrO3
- Molecular weight
- 273.12
Names & synonyms
2-bromo-4,5-diethoxybenzaldehyde91335-51-2DTXSID70356142RefChem:257111DTXCID80307201MFCD02256846ZINC336070HMS2692K24ZINC00336070MLS000770730CCOc1cc(C=O)c(cc1OCC)BrCHEMBL1540915
Show more names
SMR000343893AN-655/15531053-BROMO-4,5-DIETHOXYBENZALDEHYDEBenzaldehyde,2-bromo-4,5-diethoxy-
2-bromo-4,5-diethoxy-benzaldehyde2BROMO45DIETHOXYBENZALDEHYDEALBB-001362BBL013987SBB019995STK045225AKOS000118342CCOC1=C(C=C(C(=C1)C=O)Br)OCC
Database identifiers
- CAS
91335-51-2- PubChem CID
- 819972
- DTXSID
DTXSID70356142- ChEMBL
CHEMBL1540915- Nikkaji
- J3.022.672K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 343.6 · 343.6±37.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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