Basic information
- CAS
72472-42-5- Standard SMILES
COc1cc2c(cc1Br)C(=O)C(Br)(Br)CCC2Br- InChIKey
GZRBFYVBIHGNSE-UHFFFAOYSA-N- Molecular formula
- C12H10Br4O2
- Average molar mass
- 505.82 g/mol
- Monoisotopic mass
- 501.74143
Names & identifiers
- Preferred name
- 3,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
- IUPAC
- 3,6,6,9-tetrabromo-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-one
Names & synonyms
72472-42-5NSC305455DTXSID303166413,6,6,9-Tetrabromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-oneNSC-305455
Database identifiers
- CAS
72472-42-5- PubChem CID
- 328035
- DTXSID
DTXSID30316641
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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