| CAS Number | 1183675-62-8 |
| Catalog Number | AG01AGMD |
| Chemical Name | 3-Amino-4-(2,2,2-trifluoroethoxy)benzoic acid |
| IUPAC Name | 3-amino-4-(2,2,2-trifluoroethoxy)benzoic acid |
| InChI | InChI=1S/C9H8F3NO3/c10-9(11,12)4-16-7-2-1-5(8(14)15)3-6(7)13/h1-3H,4,13H2,(H,14,15) |
| InChI Key | VUNBQAMLJWERBW-UHFFFAOYSA-N |
| MDL Number | MFCD12812056 |
| Molecular Formula | C9H8F3NO3 |
| Molecular Weight | 235.1599 |
| SMILES | NC1=C(OCC(F)(F)F)C=CC(C(O)=O)=C1 |
| Synonyms | 3-amino-4-(2,2,2-trifluoroethoxy)benzoic acid,
1183675-62-8,
AC1Q518F,
ZINC37864526,
AKOS008130456,
MCULE-2244795018,
NE61069,
EN300-72248,
Z1270384370,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.162g/mol |
| Monoisotopic Mass | 235.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number