Basic information
- CAS
53488-76-9- Standard SMILES
O=C1c2ccccc2C(=O)c2c(CBr)cccc21- InChIKey
ZIAQIHPONXZRSW-UHFFFAOYSA-N- Molecular formula
- C15H9BrO2
- Average molar mass
- 301.13 g/mol
- Monoisotopic mass
- 299.97859
Names & identifiers
- Preferred name
- 1-(Bromomethyl)anthracene-9,10-dione
- IUPAC
- 1-(bromomethyl)anthracene-9,10-dione
Names & synonyms
1-(Bromomethyl)anthracene-9,10-dione53488-76-9DTXSID80501545RefChem:226243DTXCID7045235583236-53-7bromomethylanthraquinoneSCHEMBL5013717
Database identifiers
- CAS
53488-76-9- PubChem CID
- 12531986
- DTXSID
DTXSID80501545
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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