| CAS Number | 1221723-99-4 |
| Catalog Number | AG019XY8 |
| Chemical Name | 3-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoic acid |
| IUPAC Name | 3-hydroxy-5-(2,2,2-trifluoroethoxy)benzoic acid |
| InChI | InChI=1S/C9H7F3O4/c10-9(11,12)4-16-7-2-5(8(14)15)1-6(13)3-7/h1-3,13H,4H2,(H,14,15) |
| InChI Key | CNCAOTMTYQULPP-UHFFFAOYSA-N |
| MDL Number | MFCD14705602 |
| Molecular Formula | C9H7F3O4 |
| Molecular Weight | 236.1447 |
| SMILES | OC(C1=CC(OCC(F)(F)F)=CC(O)=C1)=O |
| Synonyms | 3-hydroxy-5-(2,2,2-trifluoroethoxy)benzoic acid,
1221723-99-4,
AC1Q733G,
CTK7J8599,
ZINC39947482,
AKOS033199676,
MCULE-1035985854,
NE54742,
EN300-56384,
Z1259040975,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.146g/mol |
| Monoisotopic Mass | 236.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number