| CAS Number | 76053-47-9 |
| Catalog Number | AG00ICP4(AGN-PC-0WG43Z) |
| Chemical Name | 5-(2-Chlorophenyl)pyridin-2(1H)-one |
| IUPAC Name | 5-(2-chlorophenyl)-1H-pyridin-2-one |
| InChI | InChI=1S/C11H8ClNO/c12-10-4-2-1-3-9(10)8-5-6-11(14)13-7-8/h1-7H,(H,13,14) |
| InChI Key | PIQAUAPSPKFFJK-UHFFFAOYSA-N |
| MDL Number | MFCD28167130 |
| Molecular Formula | C11H8ClNO |
| Molecular Weight | 205.6403 |
| SMILES | Oc1ccc(cn1)c1ccccc1Cl |
| Synonyms | 5-(2-Chlorophenyl)pyridin-2(1H)-one,
76053-47-9,
5-(2-CHLOROPHENYL)-2-HYDROXYPYRIDINE,
SCHEMBL10900077,
DTXSID50603929,
KM1734,
MFCD11876625,
ZINC59455980,
FCH1407552,
5-(2-chlorophenyl)-1H-pyridin-2-one,
CS-0038588,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.641g/mol |
| Monoisotopic Mass | 205.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number