| CAS Number | 885459-27-8 |
| Catalog Number | AG019IMR(AGN-PC-0WO32R) |
| Chemical Name | 2-(2,2,3,3-tetrafluorocyclobutyl)acetic acid |
| IUPAC Name | 2-(2,2,3,3-tetrafluorocyclobutyl)acetic acid |
| InChI | InChI=1S/C6H6F4O2/c7-5(8)2-3(1-4(11)12)6(5,9)10/h3H,1-2H2,(H,11,12) |
| InChI Key | XOHACWHDPMKUDV-UHFFFAOYSA-N |
| MDL Number | MFCD06255162 |
| Molecular Formula | C6H6F4O2 |
| Molecular Weight | 186.1043 |
| SMILES | OC(CC1C(F)(F)C(F)(F)C1)=O |
| Synonyms | 2-(2,2,3,3-tetrafluorocyclobutyl)acetic Acid,
(2,2,3,3-tetrafluorocyclobutyl)acetic acid,
885459-27-8,
AC1NLK77,
CTK7J2219,
AC1Q7532,
SBB039097,
STL229350,
AKOS000122440,
AKOS016039044,
MCULE-5744236910,
ST45178990,
EN300-07162,
F1922-0013,
CID4983516,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.106g/mol |
| Monoisotopic Mass | 186.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number