Basic information
- CAS
27563-14-0- Standard SMILES
CC(=O)Nc1ccc(Br)c2c1C(=O)c1ccccc1C2=O- InChIKey
IEFIRFASAAHCOS-UHFFFAOYSA-N- Molecular formula
- C16H10BrNO3
- Average molar mass
- 344.16 g/mol
- Monoisotopic mass
- 342.98440528
Names & identifiers
- Preferred name
- N-(4-Bromo-9,10-dioxo-9,10-dihydroanthracen-1-YL)acetamide
- IUPAC
- N-(4-bromo-9,10-dioxoanthracen-1-yl)acetamide
- English name
- 1-(Acetylamino)-4-bromoanthraquinone
- Molecular formula
- C16H10BrNO3
- Molecular weight
- 344.16
Names & synonyms
27563-14-0N-(4-bromo-9,10-dioxoanthracen-1-yl)acetamideN-(4-BROMO-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL)ACETAMIDESCHEMBL8604260DTXSID50428891IEFIRFASAAHCOS-UHFFFAOYSA-N4-bromo-1-acetylaminoanthraquinoneAKOS0023844591-(Acetylamino)-4-bromoanthraquinoneAcetamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
Database identifiers
- CAS
27563-14-0- PubChem CID
- 7730236
- DTXSID
DTXSID50428891- Nikkaji
- J354.982H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Melting point
- 235 · 235-237 °C
- Boiling point
- 594.6 · 594.6±50.0 °C(Predicted)
- Density
- 1.651 · 1.651±0.06 g/cm3(Predicted)
- pka
- 13.24 · 13.24±0.20(Predicted)
Related reactions
9 records
Compound notes
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