| CAS Number | 1250656-10-0 |
| Catalog Number | AG01BTFW |
| Chemical Name | 1-(2,6-Difluorophenyl)-2-hydroxyethan-1-one |
| IUPAC Name | 1-(2,6-difluorophenyl)-2-hydroxyethanone |
| InChI | InChI=1S/C8H6F2O2/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,11H,4H2 |
| InChI Key | BCVRWMGPLHANSR-UHFFFAOYSA-N |
| MDL Number | MFCD16165833 |
| Molecular Formula | C8H6F2O2 |
| Molecular Weight | 172.1288 |
| SMILES | OCC(C1=C(F)C=CC=C1F)=O |
| Synonyms | 1-(2,6-difluorophenyl)-2-hydroxyethan-1-one,
1250656-10-0,
ZINC50161284,
AKOS011305904,
SY131005,
MFCD16165833 (95%),
Z2787258002,
2 inverted exclamation mark ,6 inverted exclamation mark -Difluoro-2-hydroxyacetophenone,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.131g/mol |
| Monoisotopic Mass | 172.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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