| CAS Number | 108781-20-0 |
| Catalog Number | AG01DXAD(AGN-PC-00OEZU) |
| Chemical Name | 2,2-Difluorobutane-1,4-diol |
| IUPAC Name | 2,2-difluorobutane-1,4-diol |
| InChI | InChI=1S/C4H8F2O2/c5-4(6,3-8)1-2-7/h7-8H,1-3H2 |
| InChI Key | LUHHBDLSEBKKQX-UHFFFAOYSA-N |
| MDL Number | MFCD28975581 |
| Molecular Formula | C4H8F2O2 |
| Molecular Weight | 126.1019 |
| SMILES | OCCC(CO)(F)F |
| Synonyms | 2,2-difluoro-1,4-butanediol,
2,2-difluorobutane-1,4-diol,
SCHEMBL9826657,
LUHHBDLSEBKKQX-UHFFFAOYSA-N,
108781-20-0,
|
| Complexity | 65.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.103g/mol |
| Monoisotopic Mass | 126.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
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