1-Hydroxy-2-bromo-4-amino-7-chloroanthraquinone
Basic information
- CAS
3251-73-8- Standard SMILES
Nc1cc(Br)c(O)c2c1C(=O)c1ccc(Cl)cc1C2=O- InChIKey
SHPIALNAJHKWRK-UHFFFAOYSA-N- Molecular formula
- C14H7BrClNO3
- Average molar mass
- 352.56 g/mol
- Monoisotopic mass
- 350.92978
Names & identifiers
- Preferred name
- 1-Hydroxy-2-bromo-4-amino-7-chloroanthraquinone
- IUPAC
- 4-amino-2-bromo-7-chloro-1-hydroxyanthracene-9,10-dione
Names & synonyms
1-hydroxy-2-bromo-4-amino-7-chloroanthraquinoneSCHEMBL10778241SHPIALNAJHKWRK-UHFFFAOYSA-NDTXSID7012033813251-73-84-Amino-2-bromo-7-chloro-1-hydroxy-9,10-anthracenedione4-amino-2-bromo-7-chloro-1-hydroxyanthracene-9,10-dione
Database identifiers
- CAS
3251-73-8- PubChem CID
- 20188052
- DTXSID
DTXSID701203381
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 446
Related reactions
1 records
Compound notes
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