(2E)-7-bromo-4,6-dimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
Basic information
- CAS
6600-49-3- Standard SMILES
COc1ccc(/C=C2/Oc3c(Br)c(OC)cc(OC)c3C2=O)cc1- InChIKey
SCSJTYPFDAWLPS-RIYZIHGNSA-N- Molecular formula
- C18H15BrO5
- Average molar mass
- 391.2 g/mol
- Monoisotopic mass
- 390.01029
Names & identifiers
- Preferred name
- (2E)-7-bromo-4,6-dimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
- IUPAC
- (2E)-7-bromo-4,6-dimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
Names & synonyms
NSC732656600-49-3NSC-73265
Database identifiers
- CAS
6600-49-3- PubChem CID
- 5948633
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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