Basic information
- CAS
160822-35-5- Standard SMILES
O=[N+]([O-])C(Cl)=CC(=C(N1CCOCC1)N1CCOCC1)[N+](=O)[O-]- InChIKey
WYHRUYFCMWYDBZ-UHFFFAOYSA-N- Molecular formula
- C12H17ClN4O6
- Average molar mass
- 348.74 g/mol
- Monoisotopic mass
- 348.083662
Names & identifiers
- Preferred name
- 4-(4-Chloro-1-morpholin-4-yl-2,4-dinitrobuta-1,3-dienyl)morpholine
- IUPAC
- 4-(4-chloro-1-morpholin-4-yl-2,4-dinitrobuta-1,3-dienyl)morpholine
Names & synonyms
160822-35-54-(4-chloro-1-morpholin-4-yl-2,4-dinitrobuta-1,3-dienyl)morpholineMorpholine, 4,4'-(4-chloro-2,4-dinitro-1,3-butadienylidene)bis-4,4'-(4-Chloro-2,4-dinitrobuta-1,3-diene-1,1-diyl)bis(morpholine)DTXSID70327539NCI60_022435
Database identifiers
- CAS
160822-35-5- PubChem CID
- 379902
- DTXSID
DTXSID70327539
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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