| CAS Number | 1909337-07-0 |
| Catalog Number | AG01C2ZZ |
| Chemical Name | 3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid hydrochloride |
| IUPAC Name | 3-amino-4-(2,4,5-trifluorophenyl)butanoic acid;hydrochloride |
| InChI | InChI=1S/C10H10F3NO2.ClH/c11-7-4-9(13)8(12)2-5(7)1-6(14)3-10(15)16;/h2,4,6H,1,3,14H2,(H,15,16);1H |
| InChI Key | FZHZEWNJQKHBTG-UHFFFAOYSA-N |
| MDL Number | MFCD29055184 |
| Molecular Formula | C10H11ClF3NO2 |
| Molecular Weight | 269.6480 |
| SMILES | Cl.NC(CC1=C(F)C=C(F)C(F)=C1)CC(O)=O |
| Synonyms | 3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOIC ACID HYDROCHLORIDE,
1909337-07-0,
SY209350,
MFCD29055184 (95%),
Z2311288757,
(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid hydrochloride,
(S)-3-Amino-4-(2,4,5-trifluoro-phenyl)-butyric acid-HCl,
(S)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid hydrochloride,
1217809-78-3,
1204818-19-8,
|
| Complexity | 252 |
| 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 | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number