| CAS Number | 100859-32-3 |
| Catalog Number | AG000316(AGN-PC-04365K) |
| Chemical Name | 3-Chloroisonicotinamide |
| IUPAC Name | 3-chloropyridine-4-carboxamide |
| InChI | InChI=1S/C6H5ClN2O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,(H2,8,10) |
| InChI Key | PPLLAHQNNDKXJU-UHFFFAOYSA-N |
| MDL Number | MFCD09907954 |
| Molecular Formula | C6H5ClN2O |
| Molecular Weight | 156.5697 |
| SMILES | c1cncc(c1C(=O)N)Cl |
| Synonyms | 3-Chloroisonicotinamide,
3-CHLOROPYRIDINE-4-CARBOXAMIDE,
100859-32-3,
4-Pyridinecarboxamide, 3-chloro-,
SCHEMBL826357,
CTK3J9310,
DTXSID80634089,
ZINC14982477,
AKOS006314281,
NE55197,
AJ-65679,
DB-016000,
FT-0708491,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.569g/mol |
| Monoisotopic Mass | 156.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number