| CAS Number | 1096863-64-7 |
| Catalog Number | AG01AABY |
| Chemical Name | Methyl 4-amino-3-(2,2,2-trifluoroethoxy)benzoate |
| IUPAC Name | methyl 4-amino-3-(2,2,2-trifluoroethoxy)benzoate |
| InChI | InChI=1S/C10H10F3NO3/c1-16-9(15)6-2-3-7(14)8(4-6)17-5-10(11,12)13/h2-4H,5,14H2,1H3 |
| InChI Key | OYZHTBVZZYAWAX-UHFFFAOYSA-N |
| MDL Number | MFCD12410243 |
| Molecular Formula | C10H10F3NO3 |
| Molecular Weight | 249.1865 |
| SMILES | COC(C1=CC(OCC(F)(F)F)=C(N)C=C1)=O |
| Synonyms | methyl 4-amino-3-(2,2,2-trifluoroethoxy)benzoate,
1096863-64-7,
SCHEMBL19900151,
AC1Q4346,
ZINC37289898,
AKOS005831402,
MCULE-8083699012,
NE15515,
EN300-68164,
Z1263602391,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.189g/mol |
| Monoisotopic Mass | 249.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number