| CAS Number | 113961-97-0 |
| Catalog Number | AG01ACVB(AGN-PC-0NYCA4) |
| Chemical Name | Ethyl 2-amino-3-(2-chlorophenyl)propanoate |
| IUPAC Name | ethyl 2-amino-3-(2-chlorophenyl)propanoate |
| InChI | InChI=1S/C11H14ClNO2/c1-2-15-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3 |
| InChI Key | GYVDIWKDFAXBGV-UHFFFAOYSA-N |
| MDL Number | MFCD05228062 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | CCOC(C(CC1=C(Cl)C=CC=C1)N)=O |
| Synonyms | Ethyl 2-amino-3-(2-chlorophenyl)propanoate,
113961-97-0,
AC1N16WQ,
SCHEMBL2152834,
AKOS012259331,
NE46194,
CID4025575,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number