| CAS Number | 1199773-08-4 |
| Catalog Number | AG000PWK(AGN-PC-09PZPL) |
| Chemical Name | 2-Bromo-1-(pyridin-2-YL)butan-1-one |
| IUPAC Name | 2-bromo-1-pyridin-2-ylbutan-1-one |
| InChI | InChI=1S/C9H10BrNO/c1-2-7(10)9(12)8-5-3-4-6-11-8/h3-7H,2H2,1H3 |
| InChI Key | PMAMKVXETFDLHM-UHFFFAOYSA-N |
| MDL Number | MFCD13195772 |
| Molecular Formula | C9H10BrNO |
| Molecular Weight | 228.0858 |
| SMILES | CCC(C(=O)c1ccccn1)Br |
| Synonyms | 2-BROMO-1-(PYRIDIN-2-YL)BUTAN-1-ONE,
1199773-08-4,
ACMC-209a4w,
SCHEMBL15993270,
CTK4B1575,
DTXSID90682399,
PMAMKVXETFDLHM-UHFFFAOYSA-N,
ANW-17406,
MFCD13195772,
2-bromo-1-pyridin-2-yl-butan-1-one,
AKOS015833935,
FCH1382290,
1-Butanone, 2-bromo-1-(2-pyridinyl)-,
AX8229796,
TR-034396,
ST24022025,
Z8146,
A-5360,
I14-24579,
C9H10BrNO,
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.089g/mol |
| Monoisotopic Mass | 226.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number