| CAS Number | 909724-63-6 |
| Catalog Number | AG01DDNL |
| Chemical Name | (S)-2-Amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid hydrochloride |
| IUPAC Name | (2S)-2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C9H10FNO3.ClH/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14;/h1-3,7,12H,4,11H2,(H,13,14);1H/t7-;/m0./s1 |
| InChI Key | JCXXWLYNNMJUHP-FJXQXJEOSA-N |
| MDL Number | MFCD00077769 |
| Molecular Formula | C9H11ClFNO3 |
| Molecular Weight | 235.6399 |
| SMILES | Cl.N[C@H](C(=O)O)CC1=CC(=C(C=C1)O)F |
| Synonyms | 909724-63-6,
3-Fluoro-L-tyrosine hydrochloride,
SCHEMBL11248502,
AKOS032954147,
(S)-2-Amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid hydrochloride,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.639g/mol |
| Monoisotopic Mass | 235.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number