| CAS Number | 1098100-07-2 |
| Catalog Number | AG00HBLP(AGN-PC-0WA2FE) |
| Chemical Name | N-PHENYLACETYL-2-(2-CHLOROPHENYL)-D-GLYCINE |
| IUPAC Name | (2R)-2-(2-chlorophenyl)-2-[(2-phenylacetyl)amino]acetic acid |
| InChI | InChI=1S/C16H14ClNO3/c17-13-9-5-4-8-12(13)15(16(20)21)18-14(19)10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,18,19)(H,20,21)/t15-/m1/s1 |
| InChI Key | MTFPCYJZWDSFOB-OAHLLOKOSA-N |
| MDL Number | MFCD22377974 |
| Molecular Formula | C16H14ClNO3 |
| Molecular Weight | 303.7403 |
| SMILES | OC(=O)[C@H](NC(=O)Cc1ccccc1)c1ccccc1Cl |
| Synonyms | N-PHENYLACETYL-2-(2-CHLOROPHENYL)-D-GLYCINE,
1098100-07-2,
(R)-(2-Chloro-phenyl)-phenylacetylamino-acetic acid,
DTXSID50857127,
ACT07263,
MFCD22377974,
ZINC44137289,
(R)-Phenylacetylamino(2-chlorophenyl)acetic acid,
(2R)-(2-Chlorophenyl)(2-phenylacetamido)acetic acid,
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| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.742g/mol |
| Monoisotopic Mass | 303.066g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number