| CAS Number | 1256834-59-9 |
| Catalog Number | AG000OGG(AGN-PC-0WNH4V) |
| Chemical Name | 3-Pyridinecarboxylic acid, 2-chloro-5-hydroxy-, methyl ester |
| IUPAC Name | methyl 2-chloro-5-hydroxypyridine-3-carboxylate |
| InChI | InChI=1S/C7H6ClNO3/c1-12-7(11)5-2-4(10)3-9-6(5)8/h2-3,10H,1H3 |
| InChI Key | ZBTMUCZLAPHKSS-UHFFFAOYSA-N |
| MDL Number | MFCD18256809 |
| Molecular Formula | C7H6ClNO3 |
| Molecular Weight | 187.5804 |
| SMILES | O=C(OC)C1=C(Cl)N=CC(O)=C1 |
| Synonyms | 1256834-59-9,
methyl 2-chloro-5-hydroxypyridine-3-carboxylate,
methyl 2-chloro-5-hydroxynicotinate,
KS-000008IM,
MFCD18256809,
AKOS030622916,
ZINC238373458,
SB21317,
AS-53241,
CS-0049171,
3-Pyridinecarboxylic acid, 2-chloro-5-hydroxy-, methyl ester,
ACN-027987,
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| Complexity | 176 |
| 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 | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number