| CAS Number | 115086-54-9 |
| Catalog Number | AG009UO9(AGN-PC-0020UW) |
| Chemical Name | Imidacloprid-olefin |
| IUPAC Name | N-[3-[(6-chloropyridin-3-yl)methyl]-1H-imidazol-3-ium-2-yl]nitramide |
| InChI | InChI=1S/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)/p+1 |
| InChI Key | TYLCDJYHUVCRBH-UHFFFAOYSA-O |
| MDL Number | MFCD02660798 |
| Molecular Formula | C9H8ClN5O2 |
| Molecular Weight | 253.6451 |
| SMILES | O=[N+](NC1=NC=CN1CC2=CC=C(Cl)N=C2)[O-] |
| Synonyms | 115086-54-9,
N-[3-[(6-chloropyridin-3-yl)methyl]-1H-imidazol-2-yl]nitramide,
Imidacloprid-olefin,
TYLCDJYHUVCRBH-UHFFFAOYSA-O,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.044g/mol |
| Formal Charge | 1 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.654g/mol |
| Monoisotopic Mass | 254.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number