1,4,5,8-Tetraamino-2-bromo-6-phenoxyanthracene-9,10-dione
Basic information
- CAS
88601-88-1- Standard SMILES
Nc1cc(Br)c(N)c2c1C(=O)c1c(N)c(Oc3ccccc3)cc(N)c1C2=O- InChIKey
FZKISPNAUQTKHE-UHFFFAOYSA-N- Molecular formula
- C20H15BrN4O3
- Average molar mass
- 439.3 g/mol
- Monoisotopic mass
- 438.03275
Names & identifiers
- Preferred name
- 1,4,5,8-Tetraamino-2-bromo-6-phenoxyanthracene-9,10-dione
- IUPAC
- 1,4,5,8-tetraamino-2-bromo-6-phenoxyanthracene-9,10-dione
Names & synonyms
88601-88-11,4,5,8-Tetraamino-2-bromo-6-phenoxyanthracene-9,10-dioneSCHEMBL10783496DTXSID60603339
Database identifiers
- CAS
88601-88-1- PubChem CID
- 20188064
- DTXSID
DTXSID60603339
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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