| CAS Number | 177550-41-3 |
| Catalog Number | AG019UUF(AGN-PC-05TQMX) |
| Chemical Name | 4-(Chloromethyl)-1-methyl-1,2-dihydropyridin-2-one |
| IUPAC Name | 4-(chloromethyl)-1-methylpyridin-2-one |
| InChI | InChI=1S/C7H8ClNO/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,5H2,1H3 |
| InChI Key | QBJRHHYKYWPOEL-UHFFFAOYSA-N |
| MDL Number | MFCD11857973 |
| Molecular Formula | C7H8ClNO |
| Molecular Weight | 157.5975 |
| SMILES | CN1C(=O)C=C(CCl)C=C1 |
| Synonyms | 4-(chloromethyl)-1-methyl-1,2-dihydropyridin-2-one,
177550-41-3,
2(1H)-Pyridinone, 4-(chloromethyl)-1-methyl-,
AC1Q3YW5,
SCHEMBL8389051,
CTK6H6660,
QBJRHHYKYWPOEL-UHFFFAOYSA-N,
MFCD11857973,
ZINC32628431,
AKOS006222126,
MCULE-9400753273,
NE44461,
BS-13278,
FT-0713252,
4-(chloromethyl)-1-methylpyridin-2(1H)-one,
EN300-42863,
4-(chloromethyl)-1-methyl-2(1H)-Pyridinone,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.597g/mol |
| Monoisotopic Mass | 157.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number