| CAS Number | 69105-00-6 |
| Catalog Number | AG00FDD0(AGN-PC-0WBT3T) |
| Chemical Name | TrifluoroMethoxyacetic Acid |
| IUPAC Name | 2-(trifluoromethoxy)acetic acid |
| InChI | InChI=1S/C3H3F3O3/c4-3(5,6)9-1-2(7)8/h1H2,(H,7,8) |
| InChI Key | CZXZCEUXKFLRHN-UHFFFAOYSA-N |
| MDL Number | MFCD11858185 |
| Molecular Formula | C3H3F3O3 |
| Molecular Weight | 144.0493 |
| SMILES | FC(OCC(=O)O)(F)F |
| Synonyms | 2-(TRIFLUOROMETHOXY)ACETIC ACID,
69105-00-6,
(trifluoromethoxy)acetic acid,
trifluoromethoxyacetic acid,
SCHEMBL1118445,
CTK7J5374,
AC1Q7644,
BBL101855,
MFCD11858185,
STL555652,
ZINC32629452,
AKOS006222568,
AJ-85469,
CS-12204,
SY039896,
EN300-88804,
MFCD11858185 (95%),
|
| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.049g/mol |
| Monoisotopic Mass | 144.003g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
3
|
|
Hazard statements
|
H226-H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 1993
|
Certificate of Analysis
Lot Number