Basic information
- CAS
22371-68-2- Standard SMILES
O=c1oc2ccccc2c2cccc([N+](=O)[O-])c12- InChIKey
RRBHCIXYRBIXMK-UHFFFAOYSA-N- Molecular formula
- C13H7NO4
- Average molar mass
- 241.2 g/mol
- Monoisotopic mass
- 241.0375077
Names & identifiers
- Preferred name
- 7-Nitro-6H-dibenzo[b,d]pyran-6-one
- IUPAC
- 7-nitrobenzo[c]chromen-6-one
Names & synonyms
7-Nitro-6H-dibenzo[b,d]pyran-6-one22371-68-26H-Dibenzo(b,d)pyran-6-one, 7-nitro-6H-Dibenzo[b,d]pyran-6-one, 7-nitro-7-Nitro-6H-dibenzo(b,d)pyran-6-oneRefChem:311130RRBHCIXYRBIXMK-UHFFFAOYSA-NEINECS 244-939-6SCHEMBL7479878DTXSID80865073NS00048964
Database identifiers
- CAS
22371-68-2- PubChem CID
- 89678
- DTXSID
DTXSID80865073- Nikkaji
- J2.764B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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