| CAS Number | 1187669-32-4 |
| Catalog Number | AG008URD(AGN-PC-0WCR5L) |
| Chemical Name | 2-Bromo-1-(2-methoxypyridin-4-yl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(2-methoxypyridin-4-yl)ethanone |
| InChI | InChI=1S/C8H8BrNO2/c1-12-8-4-6(2-3-10-8)7(11)5-9/h2-4H,5H2,1H3 |
| InChI Key | LSEAFYYGGQILPK-UHFFFAOYSA-N |
| MDL Number | MFCD20327974 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | BrCC(=O)C1=CC(=NC=C1)OC |
| Synonyms | 2-bromo-1-(2-methoxypyridin-4-yl)ethanone,
1187669-32-4,
2-Bromo-1-(2-methoxypyridin-4-yl)ethan-1-one,
SCHEMBL1889165,
LSEAFYYGGQILPK-UHFFFAOYSA-N,
ZINC95915187,
AKOS030235431,
FCH1602646,
DA-19243,
FT-0742247,
EN300-212445,
2-Bromo-1-[2-(methyloxy)-4-pyridinyl]ethanone,
Ethanone, 2-bromo-1-(2-methoxy-4-pyridinyl)-,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number