| CAS Number | 79674-59-2 |
| Catalog Number | AG01DTDP |
| Chemical Name | 2-((5-Chloropyridin-2-Yl)Oxy)Acetic Acid |
| IUPAC Name | 2-(5-chloropyridin-2-yl)oxyacetic acid |
| InChI | InChI=1S/C7H6ClNO3/c8-5-1-2-6(9-3-5)12-4-7(10)11/h1-3H,4H2,(H,10,11) |
| InChI Key | RRKHLHRDNNAYJU-UHFFFAOYSA-N |
| MDL Number | MFCD06408017 |
| Molecular Formula | C7H6ClNO3 |
| Molecular Weight | 187.5804 |
| SMILES | ClC=1C=CC(=NC1)OCC(=O)O |
| Synonyms | 79674-59-2,
2-((5-chloropyridin-2-yl)oxy)acetic acid,
Acetic acid, 2-[(5-chloro-2-pyridinyl)oxy]-,
2-[(5-chloropyridin-2-yl)oxy]acetic acid,
2-(5-chloro-2-pyridyloxy)acetic acid,
AC-907/34105007,
SCHEMBL208775,
ZINC966675,
SBB090635,
AKOS006295601,
[(5-chloro-2-pyridinyl)oxy]acetic acid,
CID1201021,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.579g/mol |
| Monoisotopic Mass | 187.004g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number