| CAS Number | 1803591-99-2 |
| Catalog Number | AG01AD60 |
| Chemical Name | Methyl 4-(1-amino-2,2,2-trifluoroethyl)benzoate hydrochloride |
| IUPAC Name | methyl 4-(1-amino-2,2,2-trifluoroethyl)benzoate;hydrochloride |
| InChI | InChI=1S/C10H10F3NO2.ClH/c1-16-9(15)7-4-2-6(3-5-7)8(14)10(11,12)13;/h2-5,8H,14H2,1H3;1H |
| InChI Key | LDRZDPNCSRXYGJ-UHFFFAOYSA-N |
| MDL Number | MFCD26936270 |
| Molecular Formula | C10H11ClF3NO2 |
| Molecular Weight | 269.6480 |
| SMILES | Cl.NC(C(F)(F)F)C1=CC=C(C(=O)OC)C=C1 |
| Synonyms | methyl 4-(1-amino-2,2,2-trifluoroethyl)benzoate hydrochloride,
1803591-99-2,
METHYL (R)-4-(1-AMINO-2,2,2-TRIFLUOROETHYL)BENZOATE HCL,
METHYL (S)-4-(1-AMINO-2,2,2-TRIFLUOROETHYL)BENZOATE HCL,
|
| Complexity | 247 |
| 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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Certificate of Analysis
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