7-Nitrobenz(a)anthracene-5,6-dione
Basic information
- CAS
18528-69-3- Standard SMILES
O=C1C(=O)c2c(cc3ccccc3c2[N+](=O)[O-])-c2ccccc21- InChIKey
UDDKCISOODWLHQ-UHFFFAOYSA-N- Molecular formula
- C18H9NO4
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 303.05315777
Names & identifiers
- Preferred name
- 7-Nitrobenz(a)anthracene-5,6-dione
- IUPAC
- 7-nitrobenzo[a]anthracene-5,6-dione
Names & synonyms
7-Nitrobenz(a)anthracene-5,6-dioneY47UP883GR7-Nitrobenz(a)anthra-5,6-quinoneUNII-Y47UP883GRBenz(a)anthracene-5,6-dione, 7-nitro-18528-69-3Q27896312
Database identifiers
- CAS
18528-69-3- PubChem CID
- 85707841
- UNII
- Y47UP883GR
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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