Basic information
- CAS
51379-39-6- Standard SMILES
O=C(C=Cc1ccco1)c1ccc(Br)cc1O- InChIKey
GRQQGHSSMABUHN-UHFFFAOYSA-N- Molecular formula
- C13H9BrO3
- Average molar mass
- 293.11 g/mol
- Monoisotopic mass
- 291.97351
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(4-bromo-2-hydroxyphenyl)-3-(2-furanyl)-
- IUPAC
- 1-(4-bromo-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
Names & synonyms
51379-39-62-Propen-1-one, 1-(4-bromo-2-hydroxyphenyl)-3-(2-furanyl)-DTXSID503327821-(4-BROMO-2-HYDROXYPHENYL)-3-(FURAN-2-YL)PROP-2-EN-1-ONE
Database identifiers
- CAS
51379-39-6- PubChem CID
- 466243
- DTXSID
DTXSID50332782
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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