| CAS Number | 62107-38-4 |
| Catalog Number | AG00EEI7(AGN-PC-0WBL91) |
| Chemical Name | N-(Benzyloxycarbonyl)-L--chloroalanine Methyl Ester |
| IUPAC Name | methyl (2R)-3-chloro-2-(phenylmethoxycarbonylamino)propanoate |
| InChI | InChI=1S/C12H14ClNO4/c1-17-11(15)10(7-13)14-12(16)18-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,16)/t10-/m0/s1 |
| InChI Key | UQUQXYVMAKOZMV-JTQLQIEISA-N |
| MDL Number | MFCD07367699 |
| Molecular Formula | C12H14ClNO4 |
| Molecular Weight | 271.6969 |
| SMILES | COC([C@@H](NC(=O)OCC1=CC=CC=C1)CCl)=O |
| Synonyms | 62107-38-4,
N-(Benzyloxycarbonyl)-L-|A-chloroalanine Methyl Ester,
Methyl N-[(benzyloxy)carbonyl]-3-chloro-L-alaninate,
N-(Benzyloxycarbonyl)-L-beta-chloroalanine Methyl Ester,
SCHEMBL18328213,
CTK8G1311,
DTXSID10676270,
ZINC35856226,
AKOS030253205,
FT-0662874,
N-(Benzyloxycarbonyl)-3-chloro-L-alanine methyl ester,
Nalpha-(Carbobenzyloxy)-beta-chloroalanine methyl ester,
methyl (2R)-2-(benzyloxycarbonylamino)-3-chloro-propanoate,
3-Chloro-N-[(phenylmethoxy)carbonyl]-L-alanine Methyl Ester,
56618-03-2,
UQUQXYVMAKOZMV-JTQLQIEISA-N,
N-(Benzyloxycarbonyl)-L--chloroalanine Methyl Ester,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.697g/mol |
| Monoisotopic Mass | 271.061g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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