| CAS Number | 1256807-90-5 |
| Catalog Number | AG000ODM(AGN-PC-0WAJ7A) |
| Chemical Name | methyl 2-chloro-5-hydroxyisonicotinate |
| IUPAC Name | methyl 2-chloro-5-hydroxypyridine-4-carboxylate |
| InChI | InChI=1S/C7H6ClNO3/c1-12-7(11)4-2-6(8)9-3-5(4)10/h2-3,10H,1H3 |
| InChI Key | BLIUGSMJOAUWSV-UHFFFAOYSA-N |
| MDL Number | MFCD18257763 |
| Molecular Formula | C7H6ClNO3 |
| Molecular Weight | 187.5804 |
| SMILES | O=C(OC)C1=C(O)C=NC(Cl)=C1 |
| Synonyms | methyl 2-chloro-5-hydroxyisonicotinate,
1256807-90-5,
methyl 2-chloro-5-hydroxypyridine-4-carboxylate,
PubChem23616,
DTXSID70719117,
ACN-P000928,
MFCD18257763,
ZINC72190628,
AKOS022171980,
SB21096,
AS-51271,
AJ-119349,
4-Pyridinecarboxylic acid, 2-chloro-5-hydroxy-, methyl ester,
|
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number