| CAS Number | 1251923-30-4 |
| Catalog Number | AG01AA0R |
| Chemical Name | 3-(2,6-difluorophenyl)-3-acetamidopropanoic acid |
| IUPAC Name | 3-acetamido-3-(2,6-difluorophenyl)propanoic acid |
| InChI | InChI=1S/C11H11F2NO3/c1-6(15)14-9(5-10(16)17)11-7(12)3-2-4-8(11)13/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17) |
| InChI Key | ZTPAZNBUIRZBKL-UHFFFAOYSA-N |
| MDL Number | MFCD16817517 |
| Molecular Formula | C11H11F2NO3 |
| Molecular Weight | 243.2067 |
| SMILES | CC(NC(C1=C(F)C=CC=C1F)CC(O)=O)=O |
| Synonyms | 3-(2,6-difluorophenyl)-3-acetamidopropanoic acid,
1251923-30-4,
AC1Q1KFX,
AKOS012246573,
MCULE-9837605922,
NE40321,
EN300-66724,
Z1259163778,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.21g/mol |
| Monoisotopic Mass | 243.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number