| CAS Number | 954277-71-5 |
| Catalog Number | AG01AHPH(AGN-PC-0WO8G3) |
| Chemical Name | 5-Chloro-6-ethoxypyridine-3-carboxylic acid |
| IUPAC Name | 5-chloro-6-ethoxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H8ClNO3/c1-2-13-7-6(9)3-5(4-10-7)8(11)12/h3-4H,2H2,1H3,(H,11,12) |
| InChI Key | KFJJKOQGQVNZEN-UHFFFAOYSA-N |
| MDL Number | MFCD09737472 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | CCOC1=C(Cl)C=C(C(O)=O)C=N1 |
| Synonyms | 5-chloro-6-ethoxypyridine-3-carboxylic acid,
5-CHLORO-6-ETHOXYNICOTINIC ACID,
954277-71-5,
SCHEMBL17069361,
CTK6G3438,
ZINC22218404,
AKOS000147657,
MCULE-2099096908,
NE35761,
EN300-75411,
Z1270326281,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.606g/mol |
| Monoisotopic Mass | 201.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number