| CAS Number | 1797551-79-1 |
| Catalog Number | AG01AFWQ |
| Chemical Name | Methyl 2-(([4-(trifluoromethyl)phenyl]methyl)amino)acetate hydrochloride |
| IUPAC Name | methyl 2-[[4-(trifluoromethyl)phenyl]methylamino]acetate;hydrochloride |
| InChI | InChI=1S/C11H12F3NO2.ClH/c1-17-10(16)7-15-6-8-2-4-9(5-3-8)11(12,13)14;/h2-5,15H,6-7H2,1H3;1H |
| InChI Key | QQNYSOLOUZUDIZ-UHFFFAOYSA-N |
| MDL Number | MFCD27920256 |
| Molecular Formula | C11H13ClF3NO2 |
| Molecular Weight | 283.6746 |
| SMILES | Cl.COC(CNCC1=CC=C(C(F)(F)F)C=C1)=O |
| Synonyms | methyl 2-({[4-(trifluoromethyl)phenyl]methyl}amino)acetate hydrochloride,
1797551-79-1,
MCULE-9071415855,
NE31258,
Z1742055003,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.058691g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.67g/mol |
| Monoisotopic Mass | 283.058691g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number