6-Nitro-2-(4-nitro-phenyl)-chromen-4-one
Basic information
- CAS
158555-11-4- Standard SMILES
O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccc([N+](=O)[O-])cc12- InChIKey
FPLQIUAPEQSTCP-UHFFFAOYSA-N- Molecular formula
- C15H8N2O6
- Average molar mass
- 312.23 g/mol
- Monoisotopic mass
- 312.03823598
Names & identifiers
- Preferred name
- 6-Nitro-2-(4-nitro-phenyl)-chromen-4-one
- IUPAC
- 6-nitro-2-(4-nitrophenyl)chromen-4-one
Names & synonyms
6-Nitro-2-(4-nitro-phenyl)-chromen-4-one158555-11-4RefChem:309169CHEMBL647046-Nitro-2-(4-nitrophenyl)-4H-chromen-4-one6-nitro-2-(4-nitrophenyl)chromen-4-oneSCHEMBL7538912DTXSID60437292BDBM50037398PD1829846-Nitro-2-(4-nitrophenyl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
158555-11-4- PubChem CID
- 10244983
- DTXSID
DTXSID60437292- ChEMBL
CHEMBL64704- Nikkaji
- J622.480F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 541
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Related reactions
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Compound notes
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