| CAS Number | 90971-90-7 |
| Catalog Number | AG01DWU1(AGN-PC-0OMIAU) |
| Chemical Name | 2-bromo-1-(3-hydroxy-4-methoxyphenyl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(3-hydroxy-4-methoxyphenyl)ethanone |
| InChI | InChI=1S/C9H9BrO3/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4,11H,5H2,1H3 |
| InChI Key | CPXKTRDFYCGOSI-UHFFFAOYSA-N |
| MDL Number | MFCD25968783 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | COC1=C(O)C=C(C(CBr)=O)C=C1 |
| Synonyms | 2-bromo-1-(3-hydroxy-4-methoxyphenyl)ethanone,
90971-90-7,
2-bromo-1-(3-hydroxy-4-methoxyphenyl)-1-ethanone,
SCHEMBL15974453,
CPXKTRDFYCGOSI-UHFFFAOYSA-N,
AKOS022662647,
2-bromo-1-(3-hydroxy-4-methoxyphenyl)ethan-1-one,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.072g/mol |
| Monoisotopic Mass | 243.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number