| CAS Number | 220770-99-0 |
| Catalog Number | AG00BNF9 |
| Chemical Name | 2-(chloromethyl)-3,5-dimethylpyridin-4(1H)-one hydrochloride |
| IUPAC Name | 2-(chloromethyl)-3,5-dimethyl-1H-pyridin-4-one;hydrochloride |
| InChI | InChI=1S/C8H10ClNO.ClH/c1-5-4-10-7(3-9)6(2)8(5)11;/h4H,3H2,1-2H3,(H,10,11);1H |
| InChI Key | YNIZGTNVZBMWFI-UHFFFAOYSA-N |
| MDL Number | MFCD12026993 |
| Molecular Formula | C8H11Cl2NO |
| Molecular Weight | 208.0850 |
| SMILES | C1(C)=C(CCl)NC=C(C)C1=O.Cl |
| Synonyms | 2-(chloromethyl)-3,5-dimethylpyridin-4(1H)-one hydrochloride,
220770-99-0,
2-(Chloromethyl)-3,5-dimethylpyridin-4(1H)-onehydrochloride,
SCHEMBL8063831,
CTK6B3678,
BB_SC-08452,
ZX-CM007770,
7548AD,
MFCD12026993,
AKOS015845771,
MCULE-7713458884,
2-(chloromethyl)-3,5-dimethyl-1H-pyridin-4-one hydrochloride,
C8H11Cl2NO,
2-(chloromethyl)-3,5-dimethyl-4(1h)-pyridinone hydrochloride,
1114596-75-6,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.082g/mol |
| Monoisotopic Mass | 207.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number