| CAS Number | 1134619-17-2 |
| Catalog Number | AG01A9LC(AGN-PC-0WOQB6) |
| Chemical Name | 2-amino-2-(2,5-difluorophenyl)propanoic acid |
| IUPAC Name | 2-amino-2-(2,5-difluorophenyl)propanoic acid |
| InChI | InChI=1S/C9H9F2NO2/c1-9(12,8(13)14)6-4-5(10)2-3-7(6)11/h2-4H,12H2,1H3,(H,13,14) |
| InChI Key | XVZWLQXESCERMO-UHFFFAOYSA-N |
| MDL Number | MFCD09940813 |
| Molecular Formula | C9H9F2NO2 |
| Molecular Weight | 201.1701 |
| SMILES | CC(C1=C(F)C=CC(F)=C1)(C(O)=O)N |
| Synonyms | 2-amino-2-(2,5-difluorophenyl)propanoic acid,
1134619-17-2,
2-(2,5-difluorophenyl)alanine,
AC1Q2B4X,
MFCD09940813,
AKOS000184271,
AKOS022474995,
MCULE-4502240504,
NE39638,
BS-12171,
EN300-65406,
Z1222331426,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.173g/mol |
| Monoisotopic Mass | 201.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
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Certificate of Analysis
Lot Number