| CAS Number | 1305324-74-6 |
| Catalog Number | AG00HS2L(AGN-PC-0WNLQF) |
| Chemical Name | 5-Chloro-2,3-dimethoxyisonicotinic acid |
| IUPAC Name | 5-chloro-2,3-dimethoxypyridine-4-carboxylic acid |
| InChI | InChI=1S/C8H8ClNO4/c1-13-6-5(8(11)12)4(9)3-10-7(6)14-2/h3H,1-2H3,(H,11,12) |
| InChI Key | UGNGWVBHFYKDCD-UHFFFAOYSA-N |
| MDL Number | MFCD23163129 |
| Molecular Formula | C8H8ClNO4 |
| Molecular Weight | 217.6064 |
| SMILES | COc1c(OC)ncc(c1C(=O)O)Cl |
| Synonyms | 5-CHLORO-2,3-DIMETHOXYISONICOTINIC ACID,
1305324-74-6,
SCHEMBL17371763,
KM5357,
MFCD20487002,
ZINC66054174,
5-chloro-2,3-dimethoxypyridine-4-carboxylic acid,
5-Chloro-2,3-dimethoxyisonicotinic acid, AldrichCPR,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.605g/mol |
| Monoisotopic Mass | 217.014g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.6A^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