| CAS Number | 1241677-90-6 |
| Catalog Number | AG000LMB(AGN-PC-0WNO6A) |
| Chemical Name | (2R)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid |
| IUPAC Name | (2R)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid |
| InChI | InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1 |
| InChI Key | YZXUCQCJZKJMIR-MRVPVSSYSA-N |
| MDL Number | MFCD07371978 |
| Molecular Formula | C10H10F3NO3 |
| Molecular Weight | 249.1865 |
| SMILES | O=C(O)[C@H](N)CC1=CC=C(OC(F)(F)F)C=C1 |
| Synonyms | 1241677-90-6,
(2R)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid,
(R)-2-AMINO-3-(4-(TRIFLUOROMETHOXY)PHENYL)PROPANOIC ACID,
AC1OKFQK,
SCHEMBL18256435,
D-Tyrosine, O-(trifluoromethyl)-,
ZINC4727958,
MFCD07371978,
AKOS005166849,
AB33433,
AK204533,
BC3058452,
(R)-3-[4-(Trifluoromethoxy)phenyl]-2-aminopropionic acid,
CID7335692,
A3878/0164832,
(2R)-2-AMINO-3-[4-(TRIFLUOROMETHOXY)PHENYL]PROPANOIC ACID-HCL,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.189g/mol |
| Monoisotopic Mass | 249.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number