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Basic information
- CAS
2217-56-3- Standard SMILES
O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
WGAXJEXVOSVLFY-UHFFFAOYSA-N- Molecular formula
- C12H6N4O9
- Average molar mass
- 350.2 g/mol
- Monoisotopic mass
- 350.01347778
Names & identifiers
- Preferred name
- Bis(2,4-dinitrophenyl) ether
- IUPAC
- 1-(2,4-dinitrophenoxy)-2,4-dinitrobenzene
Names & synonyms
Bis(2,4-dinitrophenyl) ether1-(2,4-dinitrophenoxy)-2,4-dinitrobenzene2217-56-3Ether, bis(2,4-dinitrophenyl)2,4-Dinitrophenyl Ether9XG9XBN4HB2,2',4,4'-Tetranitrodiphenyl etherNSC-20809Benzene, 1,1'-oxybis(2,4-dinitro-NSC 20809Ether,4-dinitrophenyl)UNII-9XG9XBN4HB
Show more names
Benzene, 1,1'-oxybis(2,4-dinitro- (9CI)SCHEMBL1042708SCHEMBL29390372DTXSID501767042,4,4'-Tetranitrodiphenyl etherWGAXJEXVOSVLFY-UHFFFAOYSA-NBenzene,1'-oxybis[2,4-dinitro-1,1'-Oxybis(2,4-dinitrobenzene)
Database identifiers
- CAS
2217-56-3- PubChem CID
- 95146
- DTXSID
DTXSID50176704- UNII
- 9XG9XBN4HB
- Nikkaji
- J45.437K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 501
Related reactions
4 records
Compound notes
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