| CAS Number | 1413285-68-3 |
| Catalog Number | AG001G7C(AGN-PC-0J76A9) |
| Chemical Name | Ethanone, 1-(5-bromo-4-methyl-2-pyridinyl)- |
| IUPAC Name | 1-(5-bromo-4-methylpyridin-2-yl)ethanone |
| InChI | InChI=1S/C8H8BrNO/c1-5-3-8(6(2)11)10-4-7(5)9/h3-4H,1-2H3 |
| InChI Key | IZQZLUANDRPXSO-UHFFFAOYSA-N |
| MDL Number | MFCD27981362 |
| Molecular Formula | C8H8BrNO |
| Molecular Weight | 214.0592 |
| SMILES | CC(C1=NC=C(Br)C(C)=C1)=O |
| Synonyms | 1-(5-bromo-4-methylpyridin-2-yl)ethanone,
1413285-68-3,
Ethanone, 1-(5-bromo-4-methyl-2-pyridinyl)-,
SCHEMBL13859136,
MFCD27981362,
ZINC97758805,
FCH2515398,
AS-48758,
AJ-138496,
AX8292242,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.062g/mol |
| Monoisotopic Mass | 212.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number