| CAS Number | 110501-26-3 |
| Catalog Number | AG01ALGH(AGN-PC-09S3PV) |
| Chemical Name | methyl 3-amino-2-fluoropropanoate hydrochloride |
| IUPAC Name | methyl 3-amino-2-fluoropropanoate;hydrochloride |
| InChI | InChI=1S/C4H8FNO2.ClH/c1-8-4(7)3(5)2-6;/h3H,2,6H2,1H3;1H |
| InChI Key | PEPPPSUJKNPBDA-UHFFFAOYSA-N |
| MDL Number | MFCD20723408 |
| Molecular Formula | C4H9ClFNO2 |
| Molecular Weight | 157.5712 |
| SMILES | Cl.COC(C(CN)F)=O |
| Synonyms | methyl 3-amino-2-fluoropropanoate hydrochloride,
110501-26-3,
methyl (s)-3-amino-2-fluoropropanoate hcl,
SCHEMBL2646864,
PEPPPSUJKNPBDA-UHFFFAOYSA-N,
METHYL (R)-3-AMINO-2-FLUOROPROPANOATE HCL,
3-amino-2-fluoropropionic acid methyl ester hydrochloride,
methyl (2S)-3-amino-2-fluoropropanoate hydrochloride,
1193100-04-7,
|
| Complexity | 86.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.569g/mol |
| Monoisotopic Mass | 157.031g/mol |
| Rotatable Bond Count | 3 |
| 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