| CAS Number | 681240-09-5 |
| Catalog Number | AG01A1YC(AGN-PC-0TRCH1) |
| Chemical Name | 2,2-Difluoro-2-(1-hydroxycyclobutyl)acetic Acid |
| IUPAC Name | 2,2-difluoro-2-(1-hydroxycyclobutyl)acetic acid |
| InChI | InChI=1S/C6H8F2O3/c7-6(8,4(9)10)5(11)2-1-3-5/h11H,1-3H2,(H,9,10) |
| InChI Key | OTAIIWWWPNARPR-UHFFFAOYSA-N |
| MDL Number | MFCD16749774 |
| Molecular Formula | C6H8F2O3 |
| Molecular Weight | 166.1227 |
| SMILES | OC(C(C1(CCC1)O)(F)F)=O |
| Synonyms | 2,2-difluoro-2-(1-hydroxycyclobutyl)acetic acid,
681240-09-5,
SCHEMBL15114532,
ZINC52266470,
AKOS011684980,
MCULE-4449343875,
NE33184,
Z1868430558,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.124g/mol |
| Monoisotopic Mass | 166.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number