| CAS Number | 439931-33-6 |
| Catalog Number | AG0072LK(AGN-PC-0NHJS0) |
| Chemical Name | 2-Chloro-N-isopropylisonicotinamide |
| IUPAC Name | 2-chloro-N-propan-2-ylpyridine-4-carboxamide |
| InChI | InChI=1S/C9H11ClN2O/c1-6(2)12-9(13)7-3-4-11-8(10)5-7/h3-6H,1-2H3,(H,12,13) |
| InChI Key | QZSSGGZMSWRLKH-UHFFFAOYSA-N |
| MDL Number | MFCD02931394 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | C(=O)(C1C=CN=C(Cl)C=1)NC(C)C |
| Synonyms | 2-CHLORO-N-ISOPROPYLISONICOTINAMIDE,
439931-33-6,
2-Chloro-N-isopropyl-isonicotinamide,
Oprea1_510904,
SCHEMBL2801067,
CTK4I7917,
DTXSID50476034,
QZSSGGZMSWRLKH-UHFFFAOYSA-N,
MFCD02931394,
ZINC19092962,
AKOS000205846,
AJ-71965,
2-Chloro-N-isopropylpyridine-4-carboxamide,
N-Isopropyl-2-chloropyridine-4-carboxamide,
W-9851,
|
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number