| CAS Number | 1196152-96-1 |
| Catalog Number | AG01B9LM |
| Chemical Name | 1-(5-Chloro-6-methoxypyridin-3-yl)ethan-1-one |
| IUPAC Name | 1-(5-chloro-6-methoxypyridin-3-yl)ethanone |
| InChI | InChI=1S/C8H8ClNO2/c1-5(11)6-3-7(9)8(12-2)10-4-6/h3-4H,1-2H3 |
| InChI Key | IJYFRRQXGDJYDC-UHFFFAOYSA-N |
| MDL Number | MFCD13190368 |
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.6076 |
| SMILES | COC1=C(Cl)C=C(C(C)=O)C=N1 |
| Synonyms | 1196152-96-1,
1-(5-CHLORO-6-METHOXYPYRIDIN-3-YL)ETHANONE,
1-(5-CHLORO-6-METHOXYPYRIDIN-3-YL)ETHAN-1-ONE,
ZINC95761811,
AKOS023626779,
AB70286,
1-(5-Chloro-6-methoxy-pyridin-3-yl)-ethanone,
Z2027049451,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.607g/mol |
| Monoisotopic Mass | 185.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number