| CAS Number | 339-17-3 |
| Catalog Number | AG007ICL(AGN-PC-0WD0XD) |
| Chemical Name | Methyl 3,3,3-trifluoro-2-methylpropanoate |
| IUPAC Name | methyl 3,3,3-trifluoro-2-methylpropanoate |
| InChI | InChI=1S/C5H7F3O2/c1-3(4(9)10-2)5(6,7)8/h3H,1-2H3 |
| InChI Key | QVCCKIYWFLMCCI-UHFFFAOYSA-N |
| MDL Number | MFCD23135753 |
| Molecular Formula | C5H7F3O2 |
| Molecular Weight | 156.1031 |
| SMILES | COC(C(C(F)(F)F)C)=O |
| Synonyms | Methyl 3,3,3-trifluoro-2-methylpropanoate,
339-17-3,
SCHEMBL10710117,
CTK8C3405,
DTXSID20525523,
4013AB,
ANW-70052,
TC-158797,
ST24025254,
C5H7F3O2,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.104g/mol |
| Monoisotopic Mass | 156.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number