Basic information
- CAS
92707-27-2- Standard SMILES
O=C/C(=C/Br)c1ccccc1- InChIKey
DAVINASGGHJHOC-TWGQIWQCSA-N- Molecular formula
- C9H7BrO
- Average molar mass
- 211.05 g/mol
- Monoisotopic mass
- 209.96803
Names & identifiers
- Preferred name
- (2E)-3-Bromo-2-phenylprop-2-enal
- IUPAC
- (E)-3-bromo-2-phenylprop-2-enal
- English name
- beta-Bromo-atropaldehyde
- Molecular formula
- C9H7BrO
- Molecular weight
- 211.06
Names & synonyms
92707-27-2DTXSID70704523(2E)-3-Bromo-2-phenylprop-2-enalbeta-Bromo-atropaldehydeBenzeneacetaldehyde, α-(bromomethylene)-
Database identifiers
- CAS
92707-27-2- PubChem CID
- 53485339
- DTXSID
DTXSID70704523
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 297.2 · 297.2±29.0 °C(Predicted)
- Density
- 1.462 · 1.462±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
SYNCHEM-OHG[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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