| CAS Number | 1257078-14-0 |
| Catalog Number | AG009J3S(AGN-PC-0WO6JL) |
| Chemical Name | 1-{2-chloroimidazo[1,2-a]pyridin-3-yl}ethan-1-one |
| IUPAC Name | 1-(2-chloroimidazo[1,2-a]pyridin-3-yl)ethanone |
| InChI | InChI=1S/C9H7ClN2O/c1-6(13)8-9(10)11-7-4-2-3-5-12(7)8/h2-5H,1H3 |
| InChI Key | CFIMJRPPJPGPTN-UHFFFAOYSA-N |
| MDL Number | MFCD19686242 |
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.6177 |
| SMILES | CC(C1N2C(C=CC=C2)=NC=1Cl)=O |
| Synonyms | 1257078-14-0,
1-{2-chloroimidazo[1,2-a]pyridin-3-yl}ethan-1-one,
1-(2-chloroimidazo[1,2-a]pyridin-3-yl)ethanone,
ethanone,1-(2-chloroimidazo[1,2-a]pyridin-3-yl)-,
SCHEMBL3755229,
CFIMJRPPJPGPTN-UHFFFAOYSA-N,
ZINC68575264,
AKOS022697926,
MCULE-9902245148,
NE25392,
EN300-79964,
Z1695906884,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.618g/mol |
| Monoisotopic Mass | 194.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number