| CAS Number | 877932-39-3 |
| Catalog Number | AG00IERR(AGN-PC-0WOJSE) |
| Chemical Name | (R)-2-Amino-3-(4-((2,6-dichlorobenzyl)oxy)phenyl)propanoic acid |
| IUPAC Name | (2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid |
| InChI | InChI=1S/C16H15Cl2NO3/c17-13-2-1-3-14(18)12(13)9-22-11-6-4-10(5-7-11)8-15(19)16(20)21/h1-7,15H,8-9,19H2,(H,20,21)/t15-/m1/s1 |
| InChI Key | FTZFICPDLOOUKO-OAHLLOKOSA-N |
| MDL Number | MFCD03788051 |
| Molecular Formula | C16H15Cl2NO3 |
| Molecular Weight | 340.2012 |
| SMILES | N[C@@H](C(=O)O)CC1=CC=C(C=C1)OCC1=C(C=CC=C1Cl)Cl |
| Synonyms | 877932-39-3,
(2R)-2-AMINO-3-(4-[(2,6-DICHLOROPHENYL)METHOXY]PHENYL)PROPANOIC ACID,
(R)-2-Amino-3-(4-((2,6-dichlorobenzyl)oxy)phenyl)propanoic acid,
SCHEMBL14037387,
ZINC2510584,
KM5612,
MFCD03788051,
AKOS026671263,
FTZFICPDLOOUKO-OAHLLOKOSA-N,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.2g/mol |
| Monoisotopic Mass | 339.043g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number