| CAS Number | 1251925-11-7 |
| Catalog Number | AG01AA89 |
| Chemical Name | 2-Amino-2-[3-(trifluoromethyl)phenyl]propanoic acid hydrochloride |
| IUPAC Name | 2-amino-2-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H10F3NO2.ClH/c1-9(14,8(15)16)6-3-2-4-7(5-6)10(11,12)13;/h2-5H,14H2,1H3,(H,15,16);1H |
| InChI Key | HWFPOVOYVAUGMB-UHFFFAOYSA-N |
| MDL Number | MFCD16990665 |
| Molecular Formula | C10H11ClF3NO2 |
| Molecular Weight | 269.6480 |
| SMILES | Cl.CC(C1=CC(C(F)(F)F)=CC=C1)(C(O)=O)N |
| Synonyms | 2-amino-2-[3-(trifluoromethyl)phenyl]propanoic acid hydrochloride,
1251925-11-7,
2-amino-2-(3-(trifluoromethyl)phenyl)propanoic acid hydrochloride,
AC1Q396J,
MCULE-5716397536,
NE37879,
EN300-67433,
Z1222331411,
|
| Complexity | 280 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.648g/mol |
| Monoisotopic Mass | 269.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number