Basic information
- CAS
14548-59-5- Standard SMILES
O=[N+]([O-])C(COC(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]- InChIKey
NWWHXKXUBVOXEX-UHFFFAOYSA-N- Molecular formula
- C7H7N9O21
- Average molar mass
- 553.18 g/mol
- Monoisotopic mass
- 552.97564827
Names & identifiers
- Preferred name
- Tris(2,2,2-trinitroethyl)orthoformate
- IUPAC
- 2-[bis(2,2,2-trinitroethoxy)methoxy]-1,1,1-trinitroethane
Names & synonyms
Tris(2,2,2-trinitroethyl)orthoformateTrinitroethylorthoformate14548-59-5TNEOFTrinitroethyl orthoformate2-[bis(2,2,2-trinitroethoxy)methoxy]-1,1,1-trinitroethaneSCHEMBL9767932DTXSID80932613tris-(2,2,2-trinitroethyl) orthoformate
Database identifiers
- CAS
14548-59-5- PubChem CID
- 139780
- DTXSID
DTXSID80932613- Nikkaji
- J1.449.138D
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 440 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 751
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…