1,5-Bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one
Basic information
- CAS
6291-00-5- Standard SMILES
O=C(C=Cc1cc(Br)ccc1O)C=Cc1cc(Br)ccc1O- InChIKey
GHQJYKKGXCSWOF-UHFFFAOYSA-N- Molecular formula
- C17H12Br2O3
- Average molar mass
- 424.1 g/mol
- Monoisotopic mass
- 421.91532
Names & identifiers
- Preferred name
- 1,5-Bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one
- IUPAC
- 1,5-bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one
Names & synonyms
6291-00-51,5-bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-oneDTXSID20277878
Database identifiers
- CAS
6291-00-5- PubChem CID
- 220993
- DTXSID
DTXSID20277878
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
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Compound notes
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