Basic information
- CAS
49678-05-9- Standard SMILES
O=C/C=C/C=C/c1ccc(Br)cc1- InChIKey
VHTXPZWEWOSCJU-ZPUQHVIOSA-N- Molecular formula
- C11H9BrO
- Average molar mass
- 237.09 g/mol
- Monoisotopic mass
- 235.98368
Names & identifiers
- Preferred name
- (2E,4E)-5-(4-Bromophenyl)-2,4-pentadienal
- IUPAC
- (2E,4E)-5-(4-bromophenyl)penta-2,4-dienal
Names & synonyms
49678-05-9(2E,4E)-5-(4-Bromophenyl)-2,4-pentadienalRefChem:206525(2E,4E)-5-(4-bromophenyl)penta-2,4-dienalSCHEMBL31478695DTXSID801271404
Database identifiers
- CAS
49678-05-9- PubChem CID
- 13692016
- DTXSID
DTXSID801271404- Nikkaji
- J823.195H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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