| CAS Number | 1803606-03-2 |
| Catalog Number | AG01BCZU |
| Chemical Name | 3-amino-2-[(3-fluorophenyl)methyl]propanoic acid hydrochloride |
| IUPAC Name | 2-(aminomethyl)-3-(3-fluorophenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H12FNO2.ClH/c11-9-3-1-2-7(5-9)4-8(6-12)10(13)14;/h1-3,5,8H,4,6,12H2,(H,13,14);1H |
| InChI Key | WQNSAABVNRZINP-UHFFFAOYSA-N |
| MDL Number | MFCD28012361 |
| Molecular Formula | C10H13ClFNO2 |
| Molecular Weight | 233.6671 |
| SMILES | Cl.NCC(C(O)=O)CC1=CC(F)=CC=C1 |
| Synonyms | 3-amino-2-[(3-fluorophenyl)methyl]propanoic acid hydrochloride,
1803606-03-2,
|
| Complexity | 199 |
| 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 |
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Certificate of Analysis
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