Basic information
- CAS
88953-01-9- Standard SMILES
O=c1cc(-c2ccccc2Cl)oc2ccc(Br)cc12- InChIKey
FVVOWPSJYLMBFF-UHFFFAOYSA-N- Molecular formula
- C15H8BrClO2
- Average molar mass
- 335.58 g/mol
- Monoisotopic mass
- 333.93962
Names & identifiers
- Preferred name
- 6-bromo-2-(2-chlorophenyl)-4H-chromen-4-one
- IUPAC
- 6-bromo-2-(2-chlorophenyl)chromen-4-one
- English name
- 6-Bromo-2'-chloroflavone
- Molecular formula
- C15H8BrClO2
- Molecular weight
- 335.58
Names & synonyms
88953-01-96-bromo-2-(2-chlorophenyl)-4H-chromen-4-one6-BROMO-2'-CHLOROFLAVONE4H-1-Benzopyran-4-one, 6-bromo-2-(2-chlorophenyl)-6-bromo-2-(2-chlorophenyl)chromen-4-oneSCHEMBL6908632DTXSID80351007NDA95301STK888579AKOS0021819616-Bromo-2'-chloroflavone, AldrichCPRCCG-274709
Show more names
MB02438NCGC00320783-01ST098945VU0510070-1AB01315650-026-Bromo-2-(2-chlorophenyl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
88953-01-9- PubChem CID
- 688993
- DTXSID
DTXSID80351007
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Melting point
- 162 °C · 162 °C(Solv: ethanol (64-17-5))
- Boiling point
- 450.8 · 450.8±45.0 °C(Predicted)
- Density
- 1.617 · 1.617±0.06 g/cm3(Predicted)
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
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
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
Chemistry & industry
Suppliers1 total
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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