| CAS Number | 943752-03-2 |
| Catalog Number | AG00J2AR(AGN-PC-0WB5X7) |
| Chemical Name | 2-(Chloromethyl)-5-methoxy-4-pyridinol |
| IUPAC Name | 2-(chloromethyl)-5-methoxy-1H-pyridin-4-one |
| InChI | InChI=1S/C7H8ClNO2/c1-11-7-4-9-5(3-8)2-6(7)10/h2,4H,3H2,1H3,(H,9,10) |
| InChI Key | GXADSASGUAYZKG-UHFFFAOYSA-N |
| MDL Number | MFCD14552181 |
| Molecular Formula | C7H8ClNO2 |
| Molecular Weight | 173.5969 |
| SMILES | ClCC1=NC=C(OC)C(O)=C1 |
| Synonyms | 943752-03-2,
2-(chloromethyl)-5-methoxy-4-pyridinol,
2-(Chloromethyl)-5-methoxypyridin-4-ol,
4-Pyridinol, 2-(chloromethyl)-5-methoxy-,
ZX-CM008864,
FCH924448,
MFCD14552181,
STL468898,
ZINC26423777,
AKOS005208360,
AKOS024458814,
MCULE-5750261311,
AJ-82280,
2-(chloromethyl)-5-methoxypyridin-4(1H)-one,
EN300-238137,
Y-7439,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.596g/mol |
| Monoisotopic Mass | 173.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number