2-Fluoro-2,2-dinitroethyl 4-fluoro-4,4-dinitrobutyrate
Basic information
- CAS
15957-54-7- Standard SMILES
O=C(CCC(F)([N+](=O)[O-])[N+](=O)[O-])OCC(F)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
RSJWIXWBPOAQET-UHFFFAOYSA-N- Molecular formula
- C6H6F2N4O10
- Average molar mass
- 332.13 g/mol
- Monoisotopic mass
- 332.00519873
Names & identifiers
- Preferred name
- 2-Fluoro-2,2-dinitroethyl 4-fluoro-4,4-dinitrobutyrate
- IUPAC
- (2-fluoro-2,2-dinitroethyl) 4-fluoro-4,4-dinitrobutanoate
- English name
- 2-fluoro-2,2-dinitroethyl 4-fluoro-4,4-dinitrobutyrate
- Molecular formula
- C6H6F2N4O10
- Molecular weight
- 332.13
Names & synonyms
15957-54-72-Fluoro-2,2-dinitroethyl 4-fluoro-4,4-dinitrobutyrateEINECS 240-086-9(2-fluoro-2,2-dinitroethyl) 4-fluoro-4,4-dinitrobutanoateRSJWIXWBPOAQET-UHFFFAOYSA-NK86MD58WTZDTXSID501666852-FLUORO-2,2-DINITROETHYL 4-FLUORO-4,4-DINITROBUTANOATENS00053768Butanoic acid, 4-fluoro-4,4-dinitro-, 2-fluoro-2,2-dinitroethyl esterButyric acid, 4-fluoro-4,4-dinitro-, 2-fluoro-2,2-dinitroethyl ester4-Fluoro-4,4-dinitrobutyric acid 2-fluoro-2,2-dinitroethyl ester
Database identifiers
- CAS
15957-54-7- PubChem CID
- 85203
- DTXSID
DTXSID50166685- UNII
- K86MD58WTZ
- EC Number
- 240-086-9
- Nikkaji
- J219.910F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 474
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…