1,3-Dibromoanthraquinone
Basic information
- CAS
602-72-2- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Br)cc(Br)cc21- InChIKey
KXEWYGIZIZYGDL-UHFFFAOYSA-N- Molecular formula
- C14H6Br2O2
- Average molar mass
- 366 g/mol
- Monoisotopic mass
- 363.87345
Names & identifiers
- Preferred name
- 1,3-Dibromoanthraquinone
- IUPAC
- 1,3-dibromoanthracene-9,10-dione
- English name
- 9,10-Anthracenedione, 1,3-dibromo-
- Molecular formula
- C14H6Br2O2
- Molecular weight
- 366
Names & synonyms
1,3-Dibromoanthraquinone1,3-dibromoanthracene-9,10-dione602-72-2Anthraquinone, 1,3-dibromo-NSC371069,10-Anthracenedione, 1,3-dibromo-starbld00075389, 1,3-dibromo-SCHEMBL6904794DTXSID80975626KXEWYGIZIZYGDL-UHFFFAOYSA-NNSC-37106
Show more names
1,3-Dibromo-anthraquinone
AKOS037632782
Database identifiers
- CAS
602-72-2- PubChem CID
- 235563
- DTXSID
DTXSID80975626- Nikkaji
- J79.703K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Boiling point
- 491.8 · 491.8±45.0 °C(Predicted)
- Density
- 1.911 · 1.911±0.06 g/cm3(Predicted)
- Melting point
- 210 °C · 210 °C
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Related reactions
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Compound notes
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