| CAS Number | 916678-14-3 |
| Catalog Number | AG00IGTY(AGN-PC-00QSTP) |
| Chemical Name | 2,2-Difluoroethyl ethyl carbonate |
| IUPAC Name | 2,2-difluoroethyl ethyl carbonate |
| InChI | InChI=1S/C5H8F2O3/c1-2-9-5(8)10-3-4(6)7/h4H,2-3H2,1H3 |
| InChI Key | WXVCMUWGHFXASO-UHFFFAOYSA-N |
| MDL Number | MFCD28054292 |
| Molecular Formula | C5H8F2O3 |
| Molecular Weight | 154.1120 |
| SMILES | CCOC(OCC(F)F)=O |
| Synonyms | 2,2-Difluoroethyl ethyl carbonate,
916678-14-3,
SCHEMBL575131,
WXVCMUWGHFXASO-UHFFFAOYSA-N,
ZINC34850434,
Carbonic acid ethyl 2,2-difluoroethyl ester,
Carbonic acid, 2,2-difluoroethyl ethyl ester,
2,2-Difluoroethyl ethyl carbonate 100g,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.113g/mol |
| Monoisotopic Mass | 154.044g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number