| CAS Number | 1256835-40-1 |
| Catalog Number | AG009Y9A(AGN-PC-0WAIYT) |
| Chemical Name | 2,6-dichloro-3-methylpyridine-4-carboxylic acid |
| IUPAC Name | 2,6-dichloro-3-methylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C7H5Cl2NO2/c1-3-4(7(11)12)2-5(8)10-6(3)9/h2H,1H3,(H,11,12) |
| InChI Key | TWYNDQHXDSFICB-UHFFFAOYSA-N |
| MDL Number | MFCD18258070 |
| Molecular Formula | C7H5Cl2NO2 |
| Molecular Weight | 206.0261 |
| SMILES | CC1=C(C(O)=O)C=C(Cl)N=C1Cl |
| Synonyms | 2,6-DICHLORO-3-METHYLISONICOTINIC ACID,
1256835-40-1,
2,6-Dichloro-3-methylpyridine-4-carboxylic acid,
SCHEMBL3407348,
methyl-2,6-dichloroisonicotinic acid,
MFCD18258070,
ZINC98091101,
AK318496,
DS-11563,
2,6-Dichloro-3-methyl-4-pyridinecarboxylic acid,
4-?Pyridinecarboxylic acid, 2,?6-?dichloro-?3-?methyl-,
4-Pyridinecarboxylicacid,2,6-dichloro-3-methyl-,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.022g/mol |
| Monoisotopic Mass | 204.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number