| CAS Number | 1646570-98-0 |
| Catalog Number | AG00HZ3P(AGN-PC-0WG45M) |
| Chemical Name | 4-Bromo-1-(1-methylethyl)-2(1H)-pyridinone |
| IUPAC Name | 4-bromo-1-propan-2-ylpyridin-2-one |
| InChI | InChI=1S/C8H10BrNO/c1-6(2)10-4-3-7(9)5-8(10)11/h3-6H,1-2H3 |
| InChI Key | UDIQXQQWGQXOHU-UHFFFAOYSA-N |
| MDL Number | MFCD28992007 |
| Molecular Formula | C8H10BrNO |
| Molecular Weight | 216.0751 |
| SMILES | CC(C)N1C=CC(=CC1=O)Br |
| Synonyms | 4-Bromo-1-isopropylpyridin-2(1H)-one,
1646570-98-0,
MFCD28992007,
AKOS027255903,
ZINC255189976,
AS-54958,
4-bromo-1-propan-2-ylpyridin-2-one,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.078g/mol |
| Monoisotopic Mass | 214.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number