3-Nitro-2-(3-nitrophenyl)chromen-4-one
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Basic information
- CAS
143468-18-2- Standard SMILES
O=c1c([N+](=O)[O-])c(-c2cccc([N+](=O)[O-])c2)oc2ccccc12- InChIKey
PBRSGVDNWPMREI-UHFFFAOYSA-N- Molecular formula
- C15H8N2O6
- Average molar mass
- 312.23 g/mol
- Monoisotopic mass
- 312.03823598
Names & identifiers
- Preferred name
- 3-Nitro-2-(3-nitrophenyl)chromen-4-one
- IUPAC
- 3-nitro-2-(3-nitrophenyl)chromen-4-one
- English name
- 4H-1-Benzopyran-4-one,3-nitro-2-(3-nitrophenyl)-(9CI)
- Molecular formula
- C15H8N2O6
- Molecular weight
- 312.23382
Names & synonyms
143468-18-23-Nitro-2-(3-nitrophenyl)chromen-4-one4h-1-benzopyran-4-one,3-nitro-2-(3-nitrophenyl)-SCHEMBL128258054H-1-Benzopyran-4-one,3-nitro-2-(3-nitrophenyl)-(9CI)DB-2836024H-1-Benzopyran-4-one, 3-nitro-2-(3-nitrophenyl)-
Database identifiers
- CAS
143468-18-2- PubChem CID
- 15013510
- Nikkaji
- J479.407I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
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Compound notes
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