3-[(4,6-Dinitroindazol-1-yl)methyl]-1,3-oxazinane
Basic information
- CAS
5806-26-8- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2cnn(CN3CCCOC3)c2c1- InChIKey
CEDZVYFAHVFBSY-UHFFFAOYSA-N- Molecular formula
- C12H13N5O5
- Average molar mass
- 307.26 g/mol
- Monoisotopic mass
- 307.09166853
Names & identifiers
- Preferred name
- 3-[(4,6-Dinitroindazol-1-yl)methyl]-1,3-oxazinane
- IUPAC
- 3-[(4,6-dinitroindazol-1-yl)methyl]-1,3-oxazinane
Names & synonyms
5806-26-84,6-DINITRO-1-[(1,3-OXAZINAN-3-YL)METHYL]-1H-INDAZOLE3-[(4,6-dinitroindazol-1-yl)methyl]-1,3-oxazinaneOprea1_300046DTXSID80340815CEDZVYFAHVFBSY-UHFFFAOYSA-NSTK764345AKOS001742589ST099387Indazole, 4,6-dinitro-1-(1,3-oxazinan-3-yl)-SR-01000118018SR-01000118018-1
Show more names
4,6-Dinitro-1-(1,3-oxazinan-3-ylmethyl)-1H-indazole4,6-Dinitro-1-(1,3-oxazinan-3-ylmethyl)-1H-indazole #3-[(4,6-dinitro-1H-indazolyl)methyl]-1,3-oxazaperhydroine
Database identifiers
- CAS
5806-26-8- PubChem CID
- 567745
- DTXSID
DTXSID80340815
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
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Compound notes
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