| CAS Number | 1186113-51-8 |
| Catalog Number | AG01BBGY |
| Chemical Name | 2-Bromo-1-(6-methoxypyridin-3-yl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(6-methoxypyridin-3-yl)ethanone |
| InChI | InChI=1S/C8H8BrNO2/c1-12-8-3-2-6(5-10-8)7(11)4-9/h2-3,5H,4H2,1H3 |
| InChI Key | CMOXUHAYWKQNPC-UHFFFAOYSA-N |
| MDL Number | MFCD27941989 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | COC1=NC=C(C=C1)C(=O)CBr |
| Synonyms | 1186113-51-8,
2-bromo-1-(6-methoxypyridin-3-yl)ethanone,
2-bromo-1-(6-methoxypyridin-3-yl)ethan-1-one,
SCHEMBL1535155,
ZINC116458809,
DA-14937,
FT-0735450,
Ethanone,2-bromo-1-(6-methoxy-3-pyridinyl)-,
Ethanone, 2-bromo-1-(6-methoxy-3-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