| CAS Number | 1221792-79-5 |
| Catalog Number | AG00ITZN(AGN-PC-0WAYUY) |
| Chemical Name | 3-Acetyl-5-chloropicolinic acid |
| IUPAC Name | 3-acetyl-5-chloropyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H6ClNO3/c1-4(11)6-2-5(9)3-10-7(6)8(12)13/h2-3H,1H3,(H,12,13) |
| InChI Key | PRPIHVZKYLUSBL-UHFFFAOYSA-N |
| MDL Number | MFCD16140328 |
| Molecular Formula | C8H6ClNO3 |
| Molecular Weight | 199.5911 |
| SMILES | ClC1(=CN=C(C(=O)O)C(=C1)C(=O)C) |
| Synonyms | 3-acetyl-5-chloro-2-pyridinecarboxylic acid,
1221792-79-5,
3-Acetyl-5-chloropicolinic acid,
3-acetyl-5-chloropyridine-2-carboxylic acid,
acetylchloropyridinecarboxylicacid,
CTK5J9529,
KS-00001PZ3,
ZX-AT014094,
3-Acetyl-2-carboxy-5-chloropyridine,
FCH925174,
MFCD16140328,
SBB092517,
ZINC43827928,
AKOS005072253,
CE-0714,
MCULE-1949685492,
OR62058,
RP11686,
AJ-108938,
TR-071093,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.59g/mol |
| Monoisotopic Mass | 199.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number