| CAS Number | 816450-98-3 |
| Catalog Number | AG00GP0Q(AGN-PC-00CKFU) |
| Chemical Name | Ethanone, 1-(3,4-difluoro-2-hydroxyphenyl)- |
| IUPAC Name | 1-(3,4-difluoro-2-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H6F2O2/c1-4(11)5-2-3-6(9)7(10)8(5)12/h2-3,12H,1H3 |
| InChI Key | NGHOATHDUMGWQN-UHFFFAOYSA-N |
| MDL Number | MFCD12545936 |
| Molecular Formula | C8H6F2O2 |
| Molecular Weight | 172.1288 |
| SMILES | CC(C1=CC=C(F)C(F)=C1O)=O |
| Synonyms | 816450-98-3,
3',4'-Difluoro-2'-hydroxyacetophenone,
1-(3,4-difluoro-2-hydroxyphenyl)ethanone,
1-(3,4-difluoro-2-hydroxyphenyl)ethan-1-one,
Ethanone, 1-(3,4-difluoro-2-hydroxyphenyl)-,
SCHEMBL2315628,
ZINC35923576,
AKOS006343817,
MCULE-8840971304,
Z1795818087,
Ethanone,1- -,
CID11607995,
1-(3,4-difluoro-2-hydroxy-phenyl)ethanone,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number