Basic information
- CAS
88952-78-7- Standard SMILES
COc1cccc(-c2cc(=O)c3cc(Br)ccc3o2)c1- InChIKey
XLOZPFPQCDLEOQ-UHFFFAOYSA-N- Molecular formula
- C16H11BrO3
- Average molar mass
- 331.16 g/mol
- Monoisotopic mass
- 329.98916
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6-bromo-2-(3-methoxyphenyl)-
- IUPAC
- 6-bromo-2-(3-methoxyphenyl)chromen-4-one
- English name
- 3'-Methoxy-6-methylflavone
- Molecular formula
- C16H11BrO3
- Molecular weight
- 331.16
Names & synonyms
88952-78-74H-1-Benzopyran-4-one, 6-bromo-2-(3-methoxyphenyl)-6-BROMO-2-(3-METHOXYPHENYL)CHROMEN-4-ONE6-Bromo-2-(3-methoxyphenyl)-4H-chromen-4-oneCHEMBL497374DTXSID505260486-Bromo-2-(3-methoxyphenyl)-4H-1-benzopyran-4-one3'-Methoxy-6-methylflavone6-METHYL-3'-METHOXYFLAVONE2-(3-METHOXYPHENYL)-6-METHYL-4H-CHROMEN-4-ONE
Database identifiers
- CAS
88952-78-7- PubChem CID
- 13190875
- DTXSID
DTXSID50526048- ChEMBL
CHEMBL497374
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 162 °C · 162 °C(Solv: ethanol (64-17-5))
- Boiling point
- 461.1 · 461.1±45.0 °C(Predicted)
- Density
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- 22
- hazard_code
- Xn
Chemistry & industry
Suppliers1 total
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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