Basic information
- CAS
58802-01-0- Standard SMILES
O=C1OC(=O)C2C1C1c3ccccc3C2(Br)c2ccccc21- InChIKey
FBWNJSWBLCJXRF-UHFFFAOYSA-N- Molecular formula
- C18H11BrO3
- Average molar mass
- 355.2 g/mol
- Monoisotopic mass
- 353.98916
Names & identifiers
- Preferred name
- 1-Bromo-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
- IUPAC
- 1-bromo-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Names & synonyms
NSC40310758802-01-0DTXSID70331257NSC-4031071-Bromo-17-oxapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Database identifiers
- CAS
58802-01-0- PubChem CID
- 436767
- DTXSID
DTXSID70331257
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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