| CAS Number | 1153935-43-3 |
| Catalog Number | AG01B4GK |
| Chemical Name | 3-[(2,6-Difluorophenyl)carbamoyl]propanoic acid |
| IUPAC Name | 4-(2,6-difluoroanilino)-4-oxobutanoic acid |
| InChI | InChI=1S/C10H9F2NO3/c11-6-2-1-3-7(12)10(6)13-8(14)4-5-9(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16) |
| InChI Key | KDCXZLAJPWEMGO-UHFFFAOYSA-N |
| MDL Number | MFCD12189871 |
| Molecular Formula | C10H9F2NO3 |
| Molecular Weight | 229.1802 |
| SMILES | OC(CCC(NC1=C(F)C=CC=C1F)=O)=O |
| Synonyms | 3-[(2,6-difluorophenyl)carbamoyl]propanoic acid,
1153935-43-3,
ZINC35122492,
AKOS008966016,
Z56176985,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.183g/mol |
| Monoisotopic Mass | 229.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number