| CAS Number | 1781329-42-7 |
| Catalog Number | AG01ALKM |
| Chemical Name | Methyl 2,2-difluorocyclopentane-1-carboxylate |
| IUPAC Name | methyl 2,2-difluorocyclopentane-1-carboxylate |
| InChI | InChI=1S/C7H10F2O2/c1-11-6(10)5-3-2-4-7(5,8)9/h5H,2-4H2,1H3 |
| InChI Key | PLOMQPMDUPEXSF-UHFFFAOYSA-N |
| MDL Number | MFCD28968207 |
| Molecular Formula | C7H10F2O2 |
| Molecular Weight | 164.1499 |
| SMILES | O=C(C1C(F)(F)CCC1)OC |
| Synonyms | Methyl 2,2-difluorocyclopentanecarboxylate,
methyl 2,2-difluorocyclopentane-1-carboxylate,
1781329-42-7,
AKOS033586371,
Z1778914789,
N/A,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.152g/mol |
| Monoisotopic Mass | 164.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number