6-Bromo-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
Basic information
- CAS
7508-11-4- Standard SMILES
COc1cc2c(cc1OC)C(=O)C(Br)CCC2- InChIKey
NEMGMNCOGPVMPA-UHFFFAOYSA-N- Molecular formula
- C13H15BrO3
- Average molar mass
- 299.16 g/mol
- Monoisotopic mass
- 298.02046
Names & identifiers
- Preferred name
- 6-Bromo-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
- IUPAC
- 6-bromo-2,3-dimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Names & synonyms
7508-11-4NSC401474DTXSID803225306-Bromo-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-oneNSC-401474
Database identifiers
- CAS
7508-11-4- PubChem CID
- 344512
- DTXSID
DTXSID80322530
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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