| CAS Number | 321681-28-1 |
| Catalog Number | AG01B16C |
| Chemical Name | 2-bromo-1-(2-bromo-4,5-dimethoxyphenyl)ethanone |
| IUPAC Name | 2-bromo-1-(2-bromo-4,5-dimethoxyphenyl)ethanone |
| InChI | InChI=1S/C10H10Br2O3/c1-14-9-3-6(8(13)5-11)7(12)4-10(9)15-2/h3-4H,5H2,1-2H3 |
| InChI Key | ZAHGDIOJHXXBSB-UHFFFAOYSA-N |
| MDL Number | MFCD00510456 |
| Molecular Formula | C10H10Br2O3 |
| Molecular Weight | 337.9926 |
| SMILES | COC1=C(OC)C=C(C(CBr)=O)C(Br)=C1 |
| Synonyms | 321681-28-1,
2-bromo-1-(2-bromo-4,5-dimethoxyphenyl)ethanone,
2-bromo-1-(2-bromo-4,5-dimethoxyphenyl)ethan-1-one,
AC1N3M3I,
Ethanone, 2-bromo-1-(2-bromo-4,5-dimethoxyphenyl)-,
SCHEMBL15680284,
ZINC3048158,
MFCD00510456,
AKOS003622226,
NE42199,
AS-43057,
alpha,2'-Dibromo-4',5'-dimethoxyacetophenone,
CID4066914,
2-bromo-1-(2-bromo-4,5-dimethoxy-phenyl)ethanone,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.898g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.995g/mol |
| Monoisotopic Mass | 335.9g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number