| CAS Number | 1105193-30-3 |
| Catalog Number | AG00IWLE(AGN-PC-0WAZC3) |
| Chemical Name | 5-(Benzyloxy)-2-(chloromethyl)pyridin-4-ol |
| IUPAC Name | 2-(chloromethyl)-5-phenylmethoxy-1H-pyridin-4-one |
| InChI | InChI=1S/C13H12ClNO2/c14-7-11-6-12(16)13(8-15-11)17-9-10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,15,16) |
| InChI Key | GPGCHSWSWRIOOJ-UHFFFAOYSA-N |
| MDL Number | MFCD12922672 |
| Molecular Formula | C13H12ClNO2 |
| Molecular Weight | 249.6929 |
| SMILES | OC1=C(OCC2=CC=CC=C2)C=NC(CCl)=C1 |
| Synonyms | 5-(benzyloxy)-2-(chloromethyl)-4-pyridinol,
1105193-30-3,
5-(benzyloxy)-2-(chloromethyl)pyridin-4-ol,
benzyloxychloromethylpyridinol,
SCHEMBL9012908,
CTK6H6982,
KS-000024TQ,
ZX-RL002971,
MFCD12922672,
SBB100648,
ZINC26423781,
AKOS005072437,
AKOS030222199,
ED-0065,
FCH2809135,
RP14224,
AJ-82281,
OR303745,
TR-065590,
EN300-237876,
2-(chloromethyl)-5-(phenylmethoxy)pyridin-4-ol,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.694g/mol |
| Monoisotopic Mass | 249.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number