| CAS Number | 312295-61-7 |
| Catalog Number | AG01ACJR |
| Chemical Name | Methyl 2-amino-5-(trifluoromethoxy)benzoate |
| IUPAC Name | methyl 2-amino-5-(trifluoromethoxy)benzoate |
| InChI | InChI=1S/C9H8F3NO3/c1-15-8(14)6-4-5(2-3-7(6)13)16-9(10,11)12/h2-4H,13H2,1H3 |
| InChI Key | OGILFWCKESKAAY-UHFFFAOYSA-N |
| MDL Number | MFCD15527331 |
| Molecular Formula | C9H8F3NO3 |
| Molecular Weight | 235.1599 |
| SMILES | NC1=C(C(=O)OC)C=C(C=C1)OC(F)(F)F |
| Synonyms | METHYL 2-AMINO-5-(TRIFLUOROMETHOXY)BENZOATE,
312295-61-7,
SCHEMBL1438883,
OGILFWCKESKAAY-UHFFFAOYSA-N,
ZINC59975706,
AKOS034140764,
SC-37299,
Benzoic acid, 2-amino-5-(trifluoromethoxy)-, methyl ester,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.162g/mol |
| Monoisotopic Mass | 235.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number