| CAS Number | 1008769-66-1 |
| Catalog Number | AG01A6AD(AGN-PC-0WO2MM) |
| Chemical Name | 5-Chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H12ClNO3/c1-6(2)5-15-9-8(11)3-7(4-12-9)10(13)14/h3-4,6H,5H2,1-2H3,(H,13,14) |
| InChI Key | FBOXLYUMUCAYRF-UHFFFAOYSA-N |
| MDL Number | MFCD09803674 |
| Molecular Formula | C10H12ClNO3 |
| Molecular Weight | 229.6602 |
| SMILES | CC(COC1=C(Cl)C=C(C(O)=O)C=N1)C |
| Synonyms | 5-CHLORO-6-(2-METHYLPROPOXY)PYRIDINE-3-CARBOXYLIC ACID,
1008769-66-1,
SCHEMBL4948794,
CTK6A9044,
FBOXLYUMUCAYRF-UHFFFAOYSA-N,
5-chloro-6-isobutoxynicotinic acid,
ZINC19407846,
AKOS000160712,
MCULE-4882183348,
NE21832,
Z1675167127,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.66g/mol |
| Monoisotopic Mass | 229.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number