| CAS Number | 179811-81-5 |
| Catalog Number | AG01BTRE |
| Chemical Name | methyl 2-amino-2-[3-(trifluoromethyl)phenyl]acetate hydrochloride |
| IUPAC Name | methyl 2-amino-2-[3-(trifluoromethyl)phenyl]acetate;hydrochloride |
| InChI | InChI=1S/C10H10F3NO2.ClH/c1-16-9(15)8(14)6-3-2-4-7(5-6)10(11,12)13;/h2-5,8H,14H2,1H3;1H |
| InChI Key | ONARFOVIGCASPJ-UHFFFAOYSA-N |
| MDL Number | MFCD30724157 |
| Molecular Formula | C10H11ClF3NO2 |
| Molecular Weight | 269.6480 |
| SMILES | O=C(C(C1=CC=CC(C(F)(F)F)=C1)N)OC.Cl |
| Synonyms | methyl 2-amino-2-[3-(trifluoromethyl)phenyl]acetate hydrochloride,
179811-81-5,
SCHEMBL19283484,
Z2756625134,
METHYL2-AMINO-2-[3-(TRIFLUOROMETHYL)PHENYL]ACETATE HCL,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.648g/mol |
| Monoisotopic Mass | 269.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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