8-Bromo-1-methyl-3-phenyl-4H-furo[3,4-c][1]benzopyran-4-one
Basic information
- CAS
922503-21-7- Standard SMILES
Cc1oc(-c2ccccc2)c2c(=O)oc3ccc(Br)cc3c12- InChIKey
NBAWRSUKSWTOAQ-UHFFFAOYSA-N- Molecular formula
- C18H11BrO3
- Average molar mass
- 355.2 g/mol
- Monoisotopic mass
- 353.98916
Names & identifiers
- Preferred name
- 8-Bromo-1-methyl-3-phenyl-4H-furo[3,4-c][1]benzopyran-4-one
- IUPAC
- 8-bromo-1-methyl-3-phenylfuro[3,4-c]chromen-4-one
Names & synonyms
922503-21-78-Bromo-1-methyl-3-phenyl-4H-furo[3,4-c][1]benzopyran-4-oneDTXSID50582543
Database identifiers
- CAS
922503-21-7- PubChem CID
- 16096402
- DTXSID
DTXSID50582543- Nikkaji
- J2.412.909H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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