| CAS Number | 331821-10-4 |
| Catalog Number | AG019ZLC(AGN-PC-04H9VO) |
| Chemical Name | 1-(5-Bromo-3-chloro-2-hydroxyphenyl)ethan-1-one |
| IUPAC Name | 1-(5-bromo-3-chloro-2-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H6BrClO2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3 |
| InChI Key | JPNKIDWQXJZFDV-UHFFFAOYSA-N |
| MDL Number | MFCD02660600 |
| Molecular Formula | C8H6BrClO2 |
| Molecular Weight | 249.4890 |
| SMILES | CC(C1=CC(Br)=CC(Cl)=C1O)=O |
| Synonyms | 1-(5-bromo-3-chloro-2-hydroxyphenyl)ethan-1-one,
331821-10-4,
5'-BROMO-3'-CHLORO-2'-HYDROXYACETOPHENONE,
1-(5-BROMO-3-CHLORO-2-HYDROXYPHENYL)ETHANONE,
SCHEMBL1019808,
CTK5I6406,
JPNKIDWQXJZFDV-UHFFFAOYSA-N,
ZINC2581720,
MFCD02660600,
AKOS000112353,
MCULE-9951169763,
NE48413,
SC-39985,
1-acetyl-5-bromo-3-chloro-2-hydroxybenzene,
5'-Bromo-3'-chloro-2'-hydroxy acetophenone,
ST50331341,
A1-01503,
Z1436181495,
1-(5-bromo-3-chloro-hydroxyphenyl)ethanone,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.488g/mol |
| Monoisotopic Mass | 247.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number