1-Nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
Basic information
- CAS
14467-66-4- Standard SMILES
O=[N+]([O-])c1cccc(OCCCCOc2cccc([N+](=O)[O-])c2)c1- InChIKey
QPRWHRQOHBUZMI-UHFFFAOYSA-N- Molecular formula
- C16H16N2O6
- Average molar mass
- 332.31 g/mol
- Monoisotopic mass
- 332.10083623
Names & identifiers
- Preferred name
- 1-Nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
- IUPAC
- 1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
Names & synonyms
14467-66-41,4-Bis-m-nitrophenoxybutane1-Nitro-3-[4-(3-nitrophenoxy)butoxy]benzeneDTXSID20345703QPRWHRQOHBUZMI-UHFFFAOYSA-N1-Nitro-3-[4-(3-nitrophenoxy)butoxy]benzene #1,1'-[Butane-1,4-diylbis(oxy)]bis(3-nitrobenzene)
Database identifiers
- CAS
14467-66-4- PubChem CID
- 606509
- DTXSID
DTXSID20345703
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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