| CAS Number | 1081766-09-7 |
| Catalog Number | AG01B7AY |
| Chemical Name | (S)-Methyl 2-amino-2-(4-chlorophenyl)acetate hydrochloride |
| IUPAC Name | methyl (2S)-2-amino-2-(4-chlorophenyl)acetate;hydrochloride |
| InChI | InChI=1S/C9H10ClNO2.ClH/c1-13-9(12)8(11)6-2-4-7(10)5-3-6;/h2-5,8H,11H2,1H3;1H/t8-;/m0./s1 |
| InChI Key | SLFXIBKUZFTNJA-QRPNPIFTSA-N |
| MDL Number | MFCD12910955 |
| Molecular Formula | C9H11Cl2NO2 |
| Molecular Weight | 236.0951 |
| SMILES | Cl.N[C@H](C(=O)OC)C1=CC=C(C=C1)Cl |
| Synonyms | 1081766-09-7,
(S)-Methyl 2-amino-2-(4-chlorophenyl)acetate hydrochloride,
MFCD12910955,
AKOS022183318,
Methyl (2S)-2-amino-2-(4-chlorophenyl)acetate HCl,
methyl (2S)-2-amino-2-(4-chlorophenyl)acetate hydrochloride,
Methyl (2S)-amino(4-chlorophenyl)acetate hydrochloride (1:1),
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.092g/mol |
| Monoisotopic Mass | 235.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number