| CAS Number | 140126-96-1 |
| Catalog Number | AG001C26(AGN-PC-03HEM6) |
| Chemical Name | 2,2-Difluoropentanoic acid |
| IUPAC Name | 2,2-difluoropentanoic acid |
| InChI | InChI=1S/C5H8F2O2/c1-2-3-5(6,7)4(8)9/h2-3H2,1H3,(H,8,9) |
| InChI Key | DIXONZOTEIIZKO-UHFFFAOYSA-N |
| MDL Number | MFCD11007686 |
| Molecular Formula | C5H8F2O2 |
| Molecular Weight | 138.1126 |
| SMILES | CCCC(C(O)=O)(F)F |
| Synonyms | 2,2-Difluoropentanoic acid,
140126-96-1,
Pentanoic acid, 2,2-difluoro-,
ACMC-20mzea,
SCHEMBL249345,
CTK0H0397,
DTXSID40619716,
MFCD11007686,
ZINC31829499,
AKOS006303935,
2,2-Difluoropentanoicacid,
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| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.114g/mol |
| Monoisotopic Mass | 138.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number