| CAS Number | 1250443-19-6 |
| Catalog Number | AG01B8OK |
| Chemical Name | 2-(3-Bromo-2,6-difluorophenyl)acetic acid |
| IUPAC Name | 2-(3-bromo-2,6-difluorophenyl)acetic acid |
| InChI | InChI=1S/C8H5BrF2O2/c9-5-1-2-6(10)4(8(5)11)3-7(12)13/h1-2H,3H2,(H,12,13) |
| InChI Key | HGSULWSXEZBTAW-UHFFFAOYSA-N |
| MDL Number | MFCD16987590 |
| Molecular Formula | C8H5BrF2O2 |
| Molecular Weight | 251.0249 |
| SMILES | C1=CC(=C(C(=C1F)CC(=O)O)F)Br |
| Synonyms | 2-(3-bromo-2,6-difluorophenyl)acetic acid,
1250443-19-6,
ZINC75902413,
AKOS023118353,
3-Bromo-2,6-difluorophenylacetic acid,
Z1998636657,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.027g/mol |
| Monoisotopic Mass | 249.944g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number