| CAS Number | 1089706-28-4 |
| Catalog Number | AG0091G1 |
| Chemical Name | 1-(5-Bromo-3-fluoro-2-hydroxyphenyl)ethanone |
| IUPAC Name | 1-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H6BrFO2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3 |
| InChI Key | NBDDFAKYVVDWPU-UHFFFAOYSA-N |
| MDL Number | MFCD16742826 |
| Molecular Formula | C8H6BrFO2 |
| Molecular Weight | 233.0344 |
| SMILES | CC(=O)C1=CC(=CC(=C1O)F)Br |
| Synonyms | 1089706-28-4,
1-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanone,
1-(5-bromo-3-fluoro-2-hydroxyphenyl)ethan-1-one,
SCHEMBL1019833,
NBDDFAKYVVDWPU-UHFFFAOYSA-N,
ZINC52066170,
AKOS011655473,
NE29238,
5'-Bromo-3'-fluoro-2'-hydroxyacetophenone,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.036g/mol |
| Monoisotopic Mass | 231.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number