Anthraquinone, 1,5-dinitro-2-methyl-
Basic information
- CAS
51461-16-6- Standard SMILES
Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1C2=O- InChIKey
AYVQEYMBONJSMH-UHFFFAOYSA-N- Molecular formula
- C15H8N2O6
- Average molar mass
- 312.23 g/mol
- Monoisotopic mass
- 312.03823598
Names & identifiers
- Preferred name
- Anthraquinone, 1,5-dinitro-2-methyl-
- IUPAC
- 2-methyl-1,5-dinitroanthracene-9,10-dione
- English name
- 1,5-Dinitro-2-methyl-9,10-anthraquinone
- Molecular formula
- C15H8N2O6
- Molecular weight
- 312.23
Names & synonyms
2-Methyl-1,5-dinitroanthraquinone2-methyl-1,5-dinitroanthracene-9,10-dioneANTHRAQUINONE, 1,5-DINITRO-2-METHYL-1,5-Dinitro-2-methyl-9,10-anthraquinone51461-16-6PB5X8YN2NKBRN 2397236UNII-PB5X8YN2NK9,10-Anthracenedione, 2-methyl-1,5-dinitro-3-07-00-04110 (Beilstein Handbook Reference)SCHEMBL11752865DTXSID10199439
Show more names
STK236138AKOS002347579METHYL-1,5-DINITROANTHRAQUINONE, 2-
Database identifiers
- CAS
51461-16-6- PubChem CID
- 40019
- DTXSID
DTXSID10199439- UNII
- PB5X8YN2NK
- Nikkaji
- J62.266D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 565
Physicochemical properties
- Melting point
- 251 · 251-252 °C
- Boiling point
- 568.3 · 568.3±50.0 °C(Predicted)
- Density
- 1.568 · 1.568±0.06 g/cm3(Predicted)
- FDA UNII
- 5 X8YN2NK · PB5X8YN2NK
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…