| CAS Number | 1858241-03-8 |
| Catalog Number | AG01ELIF |
| Chemical Name | 4-amino-3-(4-fluorophenyl)butanoic acid hydrochloride |
| IUPAC Name | 4-amino-3-(4-fluorophenyl)butanoic acid;hydrochloride |
| InChI | InChI=1S/C10H12FNO2.ClH/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H |
| InChI Key | RXJNLRFZRDSVKO-UHFFFAOYSA-N |
| MDL Number | MFCD29067351 |
| Molecular Formula | C10H13ClFNO2 |
| Molecular Weight | 233.6671 |
| SMILES | FC1=CC=C(C(CN)CC(O)=O)C=C1.Cl |
| Synonyms | 4-Amino-3-(4-fluorophenyl)butyric acid hydrochloride,
1858241-03-8,
MFCD29067351,
PS-11312,
4-AMINO-3-(4-FLUOROPHENYL)BUTANOIC ACID HYDROCHLORIDE,
beta-(Aminomethyl)-4-fluoro benzenepropanoic acid hydrochloride,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.667g/mol |
| Monoisotopic Mass | 233.062g/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