Basic information
- CAS
27183-43-3- Standard SMILES
O=[N+]([O-])c1cccc(COCc2cccc([N+](=O)[O-])c2)c1- InChIKey
LDDKBZYKNBNGSA-UHFFFAOYSA-N- Molecular formula
- C14H12N2O5
- Average molar mass
- 288.25 g/mol
- Monoisotopic mass
- 288.07462149
Names & identifiers
- Preferred name
- Ether, bis(m-nitrobenzyl)-
- IUPAC
- 1-nitro-3-[(3-nitrophenyl)methoxymethyl]benzene
Names & synonyms
Ether, bis(m-nitrobenzyl)-3-nitrobenzyloxideBenzene, 1,1'-[oxybis(methylene)]bis[3-nitro-27183-43-3SCHEMBL1767329DTXSID503343071,1'-[Oxybis(methylene)]bis(3-nitrobenzene)
Database identifiers
- CAS
27183-43-3- PubChem CID
- 520294
- DTXSID
DTXSID50334307- Nikkaji
- J1.955.090G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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