Basic information
- CAS
908563-73-5- Standard SMILES
O=C(C=Cc1ccc(F)cc1)c1cc(Br)ccc1O- InChIKey
VWZFEBQBSWOAPD-UHFFFAOYSA-N- Molecular formula
- C15H10BrFO2
- Average molar mass
- 321.14 g/mol
- Monoisotopic mass
- 319.98482
Names & identifiers
- Preferred name
- 1-(5-Bromo-2-hydroxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one
- IUPAC
- 1-(5-bromo-2-hydroxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one
- English name
- (E)-1-(5-bromo-2-hydroxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one
- Molecular formula
- C15H10BrFO2
- Molecular weight
- 321.14
Names & synonyms
1-(5-bromo-2-hydroxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-oneAC1NQHORDTXSID804110991-(5-BROMO-2-HYDROXYPHENYL)-3-(4-FLUOROPHENYL)-2-PROPEN-1-ONE(E)-1-(5-bromo-2-hydroxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one(2E)-1-(5-Bromo-2-hydroxyphenyl)-3-(4-fluorophenyl)-2-propen-1-one2-Propen-1-one, 1-(5-bromo-2-hydroxyphenyl)-3-(4-fluorophenyl)-, (2E)-
Database identifiers
- CAS
908563-73-5- PubChem CID
- 5221817
- DTXSID
DTXSID80411099
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 162 · 162-164 °C(Solv: ethanol (64-17-5))
- Boiling point
- 443.9 · 443.9±45.0 °C(Predicted)
- Density
- 1.539 · 1.539±0.06 g/cm3(Predicted)
- pka
- 7.08 · 7.08±0.43(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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