2-Bromo-6-methoxy-3(2H)-benzofuranone
Basic information
- CAS
77376-39-7- Standard SMILES
COc1ccc2c(c1)OC(Br)C2=O- InChIKey
JDZGUWIRWKKEGJ-UHFFFAOYSA-N- Molecular formula
- C9H7BrO3
- Average molar mass
- 243.05 g/mol
- Monoisotopic mass
- 241.95786
Names & identifiers
- Preferred name
- 2-Bromo-6-methoxy-3(2H)-benzofuranone
- IUPAC
- 2-bromo-6-methoxy-1-benzofuran-3-one
Names & synonyms
2-Bromo-6-methoxy-3(2H)-benzofuranone77376-39-7RefChem:257474DTXSID8012876272-Bromo-6-methoxy-1-benzofuran-3(2H)-one
Database identifiers
- CAS
77376-39-7- PubChem CID
- 5323932
- DTXSID
DTXSID801287627
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
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Compound notes
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