4,5-Diamino-2-bromo-1,8-dihydroxy-7-phenoxyanthracene-9,10-dione
Basic information
- CAS
88604-14-2- Standard SMILES
Nc1cc(Br)c(O)c2c1C(=O)c1c(N)cc(Oc3ccccc3)c(O)c1C2=O- InChIKey
OPXXCVXNQGTLQN-UHFFFAOYSA-N- Molecular formula
- C20H13BrN2O5
- Average molar mass
- 441.2 g/mol
- Monoisotopic mass
- 440.00078
Names & identifiers
- Preferred name
- 4,5-Diamino-2-bromo-1,8-dihydroxy-7-phenoxyanthracene-9,10-dione
- IUPAC
- 4,5-diamino-2-bromo-1,8-dihydroxy-7-phenoxyanthracene-9,10-dione
Names & synonyms
88604-14-24,5-Diamino-2-bromo-1,8-dihydroxy-7-phenoxyanthracene-9,10-dioneSCHEMBL10782003DTXSID00603318
Database identifiers
- CAS
88604-14-2- PubChem CID
- 20188028
- DTXSID
DTXSID00603318
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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