| CAS Number | 1343080-22-7 |
| Catalog Number | AG01BFR3(AGN-PC-0WNRD8) |
| Chemical Name | 6-Chloro-2-ethoxynicotinic acid |
| IUPAC Name | 6-chloro-2-ethoxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H8ClNO3/c1-2-13-7-5(8(11)12)3-4-6(9)10-7/h3-4H,2H2,1H3,(H,11,12) |
| InChI Key | NVFVEZWOBJWZSF-UHFFFAOYSA-N |
| MDL Number | MFCD18343601 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | O=C(O)C1=C(OCC)N=C(Cl)C=C1 |
| Synonyms | 6-Chloro-2-ethoxynicotinic acid,
1343080-22-7,
6-chloro-2-ethoxypyridine-3-carboxylic acid,
SCHEMBL17560242,
DTXSID90734569,
6180AA,
ZINC71025852,
AKOS012682458,
NE44516,
AJ-117444,
C8H8ClNO3,
6-Chloro-2-ethoxynicotinicacid,
177200-89-4,
|
| 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 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number