(9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate
Basic information
- CAS
71007-45-9- Standard SMILES
COc1cc2c(cc1OC(C)=O)C(=O)CCCC2Br- InChIKey
BGLJKRQMRSUOCW-UHFFFAOYSA-N- Molecular formula
- C14H15BrO4
- Average molar mass
- 327.17 g/mol
- Monoisotopic mass
- 326.01537
Names & identifiers
- Preferred name
- (9-Bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate
- IUPAC
- (9-bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetate
Names & synonyms
71007-45-9NSC244579(9-bromo-2-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl) acetateDTXSID60311644NSC-2445795-Bromo-3-methoxy-9-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl acetate
Database identifiers
- CAS
71007-45-9- PubChem CID
- 316481
- DTXSID
DTXSID60311644
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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