Basic information
- CAS
65059-37-2- Standard SMILES
Nc1ccc([N+](=O)[O-])c2c1C(=O)c1cccc([N+](=O)[O-])c1C2=O- InChIKey
CRZSPFNSBLLXFJ-UHFFFAOYSA-N- Molecular formula
- C14H7N3O6
- Average molar mass
- 313.22 g/mol
- Monoisotopic mass
- 313.03348495
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-amino-4,5-dinitro-
- IUPAC
- 1-amino-4,5-dinitroanthracene-9,10-dione
Names & synonyms
9,10-Anthracenedione, 1-amino-4,5-dinitro-Anthraquinone, 1-amino-4,5-dinitro-65059-37-2DTXSID5070159RefChem:548663DTXCID20444281-amino-4,5-dinitroanthracene-9,10-dioneCRZSPFNSBLLXFJ-UHFFFAOYSA-N
Database identifiers
- CAS
65059-37-2- PubChem CID
- 5484533
- DTXSID
DTXSID5070159- Nikkaji
- J453.291K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 568
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-4,5-dinitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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