| CAS Number | 1356999-25-1 |
| Catalog Number | AG019U3K |
| Chemical Name | 1-(2,4-Difluoro-6-hydroxyphenyl)ethanone |
| IUPAC Name | 1-(2,4-difluoro-6-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H6F2O2/c1-4(11)8-6(10)2-5(9)3-7(8)12/h2-3,12H,1H3 |
| InChI Key | SEZJLXWFVFPASJ-UHFFFAOYSA-N |
| MDL Number | MFCD18910100 |
| Molecular Formula | C8H6F2O2 |
| Molecular Weight | 172.1288 |
| SMILES | CC(C1=C(O)C=C(F)C=C1F)=O |
| Synonyms | 1-(2,4-difluoro-6-hydroxyphenyl)ethan-1-one,
1356999-25-1,
1-(2,4-difluoro-6-hydroxyphenyl)ethanone,
ZINC72287040,
AKOS023111470,
MCULE-6609074797,
NE43820,
Z1354602513,
|
| Complexity | 184 |
| 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 | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number