| CAS Number | 360-50-9 |
| Catalog Number | AG019XOP(AGN-PC-0WO0B9) |
| Chemical Name | 2,2,3,3-Tetrafluorocyclobutane-1-carboxylic acid |
| IUPAC Name | 2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C5H4F4O2/c6-4(7)1-2(3(10)11)5(4,8)9/h2H,1H2,(H,10,11) |
| InChI Key | YPIGSOZDUWOJQG-UHFFFAOYSA-N |
| MDL Number | MFCD09971688 |
| Molecular Formula | C5H4F4O2 |
| Molecular Weight | 172.0777 |
| SMILES | OC(C1C(F)(F)C(F)(F)C1)=O |
| Synonyms | 2,2,3,3-tetrafluorocyclobutane-1-carboxylic acid,
360-50-9,
AC1Q74BG,
SCHEMBL10704644,
CTK7I6687,
AKOS026726168,
EN300-55637,
2,2,3,3-TETRAFLUOROCYCLOBUTANECARBOXYLIC ACID,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.079g/mol |
| Monoisotopic Mass | 172.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number