| CAS Number | 925412-81-3 |
| Catalog Number | AG019XAN(AGN-PC-0VZZHQ) |
| Chemical Name | methyl 3-amino-3-(4-fluorophenyl)propanoate hydrochloride |
| IUPAC Name | methyl 3-amino-3-(4-fluorophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C10H12FNO2.ClH/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H |
| InChI Key | FTWIARNFLMJNJP-UHFFFAOYSA-N |
| MDL Number | MFCD13196082 |
| Molecular Formula | C10H13ClFNO2 |
| Molecular Weight | 233.6671 |
| SMILES | Cl.NC(CC(=O)OC)C1=CC=C(C=C1)F |
| Synonyms | methyl 3-amino-3-(4-fluorophenyl)propanoate hydrochloride,
925412-81-3,
Methyl 3-amino-3-(4-fluorophenyl)propanoate HCl,
AC1Q3BXD,
R-Methyl 3-amino-3-(4-fluorophenyl)propanoate hydrochloride,
SCHEMBL1294033,
CTK6J1758,
EN300-54503,
181519-32-4,
1217977-33-7,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.667g/mol |
| Monoisotopic Mass | 233.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number