Basic information
- CAS
62896-78-0- Standard SMILES
O=C1C(=O)c2ccc([N+](=O)[O-])cc2-c2ccccc21- InChIKey
QWWAROCDPKNURB-UHFFFAOYSA-N- Molecular formula
- C14H7NO4
- Average molar mass
- 253.21 g/mol
- Monoisotopic mass
- 253.0375077
Names & identifiers
- Preferred name
- 3-Nitrophenanthrene-9,10-dione
- IUPAC
- 3-nitrophenanthrene-9,10-dione
Names & synonyms
CHEMBL509733-nitrophenanthrene-9,10-dione62896-78-0SCHEMBL6940816DTXSID504408163-Nitro-phenanthrene-9,10-dioneBDBM50099771
Database identifiers
- CAS
62896-78-0- PubChem CID
- 10491069
- DTXSID
DTXSID50440816- ChEMBL
CHEMBL50973- Nikkaji
- J1.562.937A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
LogP2.56
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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