4,8-Diamino-2-bromo-1,5-dihydroxy-6-phenoxyanthracene-9,10-dione
Basic information
- CAS
88604-12-0- Standard SMILES
Nc1cc(Br)c(O)c2c1C(=O)c1c(O)c(Oc3ccccc3)cc(N)c1C2=O- InChIKey
ZXBOAHYJBBSYKM-UHFFFAOYSA-N- Molecular formula
- C20H13BrN2O5
- Average molar mass
- 441.2 g/mol
- Monoisotopic mass
- 440.00078
Names & identifiers
- Preferred name
- 4,8-Diamino-2-bromo-1,5-dihydroxy-6-phenoxyanthracene-9,10-dione
- IUPAC
- 4,8-diamino-2-bromo-1,5-dihydroxy-6-phenoxyanthracene-9,10-dione
Names & synonyms
88604-12-0SCHEMBL10777403DTXSID50603328ZXBOAHYJBBSYKM-UHFFFAOYSA-N4,8-Diamino-2-bromo-1,5-dihydroxy-6-phenoxyanthracene-9,10-dione1,5-diamino-4,8-dihydroxy-3-phenoxy-7-bromoanthraquinone
Database identifiers
- CAS
88604-12-0- PubChem CID
- 20188044
- DTXSID
DTXSID50603328
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 628
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Related reactions
1 records
Compound notes
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