4H-1-Benzopyran-4-one, 6-bromo-2-(2-methylphenyl)-
Basic information
- CAS
88952-79-8- Standard SMILES
Cc1ccccc1-c1cc(=O)c2cc(Br)ccc2o1- InChIKey
OPNDGMXTQUWZJW-UHFFFAOYSA-N- Molecular formula
- C16H11BrO2
- Average molar mass
- 315.16 g/mol
- Monoisotopic mass
- 313.99424
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6-bromo-2-(2-methylphenyl)-
- IUPAC
- 6-bromo-2-(2-methylphenyl)chromen-4-one
Names & synonyms
88952-79-84H-1-Benzopyran-4-one, 6-bromo-2-(2-methylphenyl)-6-Bromo-2-(o-tolyl)-4H-chromen-4-one6-bromo-2-(2-methylphenyl)-4H-chromen-4-one6-bromo-2-(2-methylphenyl)chromen-4-one6-Bromo-2'-methylflavoneDTXSID40350970AKOS024286564ST0951926-Bromo-2-(2-methylphenyl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
88952-79-8- PubChem CID
- 688750
- DTXSID
DTXSID40350970
Properties
Computed structural properties
- XLogP
- 5
- 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
- 390
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Compound notes
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