| CAS Number | 1020947-39-0 |
| Catalog Number | AG019XJ5(AGN-PC-0WO7OZ) |
| Chemical Name | 3-chloro-6-(2-methoxyethoxy)pyridine-2-carboxylic acid |
| IUPAC Name | 3-chloro-6-(2-methoxyethoxy)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C9H10ClNO4/c1-14-4-5-15-7-3-2-6(10)8(11-7)9(12)13/h2-3H,4-5H2,1H3,(H,12,13) |
| InChI Key | XKSKBOMICRYVJQ-UHFFFAOYSA-N |
| MDL Number | MFCD11147622 |
| Molecular Formula | C9H10ClNO4 |
| Molecular Weight | 231.6330 |
| SMILES | COCCOC1=NC(C(O)=O)=C(Cl)C=C1 |
| Synonyms | 3-chloro-6-(2-methoxyethoxy)pyridine-2-carboxylic acid,
1020947-39-0,
CTK7B3703,
ZINC19965787,
AKOS000247217,
MCULE-5020668419,
NE61414,
EN300-55161,
Z1222331428,
AC1Q4GBY,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.029835g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.63g/mol |
| Monoisotopic Mass | 231.029835g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number