Basic information
- CAS
579492-00-5- Standard SMILES
CC(=O)Oc1c2c(cc3ccccc13)C(=O)C(Br)=CC2=O- InChIKey
JHDGNORIALQCAG-UHFFFAOYSA-N- Molecular formula
- C16H9BrO4
- Average molar mass
- 345.14 g/mol
- Monoisotopic mass
- 343.96842
Names & identifiers
- Preferred name
- 3-Bromo-1,4-dioxo-1,4-dihydroanthracen-9-YL acetate
- IUPAC
- (3-bromo-1,4-dioxoanthracen-9-yl) acetate
Names & synonyms
579492-00-53-BROMO-1,4-DIOXO-1,4-DIHYDROANTHRACEN-9-YL ACETATEDTXSID30849848
Database identifiers
- CAS
579492-00-5- PubChem CID
- 71440887
- DTXSID
DTXSID30849848- Nikkaji
- J1.912.083J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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