| CAS Number | 547705-74-8 |
| Catalog Number | AG00DATW(AGN-PC-0WB4MA) |
| Chemical Name | N-(2-Chloro-3-pyridinyl)-2-methylpropanamide |
| IUPAC Name | N-(2-chloropyridin-3-yl)-2-methylpropanamide |
| InChI | InChI=1S/C9H11ClN2O/c1-6(2)9(13)12-7-4-3-5-11-8(7)10/h3-6H,1-2H3,(H,12,13) |
| InChI Key | FDSJTVAAHWPVSG-UHFFFAOYSA-N |
| MDL Number | MFCD03397897 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | C(C(C)C)(=O)NC1C=CC=NC=1Cl |
| Synonyms | 547705-74-8,
N-(2-CHLORO-3-PYRIDINYL)-2-METHYLPROPANAMIDE,
N-(2-Chloropyridin-3-yl)isobutyramide,
CHEMBRDG-BB 6636766,
N-(2-chloropyridin-3-yl)-2-methylpropanamide,
AC1NDS0Q,
CTK5A2542,
DTXSID40404801,
ZINC5906115,
MFCD03397897,
AKOS003798546,
AJ-55151,
Y-0337,
CID4606076,
N-(2-chloropyridin-3-yl)-2-methyl-propanamide,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number