| CAS Number | 162599-96-4 |
| Catalog Number | AG00ACGQ(AGN-PC-0WBO6G) |
| Chemical Name | 3-Chloro-D-tyrosine |
| IUPAC Name | (2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid |
| InChI | InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1 |
| InChI Key | ACWBBAGYTKWBCD-SSDOTTSWSA-N |
| MDL Number | MFCD09842592 |
| Molecular Formula | C9H10ClNO3 |
| Molecular Weight | 215.6336 |
| SMILES | OC(=O)[C@@H](Cc1ccc(c(c1)Cl)O)N |
| Synonyms | 3-Chloro-D-tyrosine,
162599-96-4,
H-D-Tyr(3-Cl)-OH,
(2R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid,
D-Tyrosine, 3-chloro-,
SCHEMBL29778,
CTK7I3090,
ZINC402814,
5320AH,
CC-967,
MFCD09842592,
SBB064135,
AKOS017482309,
K-5081,
UNII-WK019939LW component ACWBBAGYTKWBCD-SSDOTTSWSA-N,
3-Chlorotyrosine,
C9H10ClNO3,
CID10632475,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.633g/mol |
| Monoisotopic Mass | 215.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number