| CAS Number | 1333472-28-8 |
| Catalog Number | AG01DHA3 |
| Chemical Name | 1-(4-Bromo-3,5-dimethoxyphenyl)ethan-1-one |
| IUPAC Name | 1-(4-bromo-3,5-dimethoxyphenyl)ethanone |
| InChI | InChI=1S/C10H11BrO3/c1-6(12)7-4-8(13-2)10(11)9(5-7)14-3/h4-5H,1-3H3 |
| InChI Key | BUZNTURMLBZGLK-UHFFFAOYSA-N |
| MDL Number | MFCD30729399 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | COc1cc(cc(c1Br)OC)C(=O)C |
| Synonyms | 1-(4-Bromo-3,5-dimethoxyphenyl)ethan-1-one,
1333472-28-8,
SCHEMBL2389998,
BUZNTURMLBZGLK-UHFFFAOYSA-N,
3',5'-Dimethoxy-4'-bromoacetophenone,
1-(4-bromo-3,5-dimethoxyphenyl)ethanone,
1-(4-Bromo-3,5-dimethoxy-phenyl)-ethanone,
A1-05119,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number