| CAS Number | 1545051-54-4 |
| Catalog Number | AG01DTO8 |
| Chemical Name | 1-(6-(3-bromophenoxy)pyridin-3-yl)ethanone |
| IUPAC Name | 1-[6-(3-bromophenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C13H10BrNO2/c1-9(16)10-5-6-13(15-8-10)17-12-4-2-3-11(14)7-12/h2-8H,1H3 |
| InChI Key | UFDAWWJQBCBDLR-UHFFFAOYSA-N |
| MDL Number | MFCD25744736 |
| Molecular Formula | C13H10BrNO2 |
| Molecular Weight | 292.1280 |
| SMILES | CC(C1=CC=C(OC2=CC=CC(Br)=C2)N=C1)=O |
| Synonyms | 1-(6-(3-Bromophenoxy)pyridin-3-yl)ethanone,
1545051-54-4,
AKOS020878760,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.132g/mol |
| Monoisotopic Mass | 290.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number