| CAS Number | 105828-41-9 |
| Catalog Number | AG008S6F(AGN-PC-0NW7TT) |
| Chemical Name | Imidacloprid Impurity 1 |
| IUPAC Name | N-[1,3-bis[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene]nitramide |
| InChI | InChI=1S/C15H14Cl2N6O2/c16-13-3-1-11(7-18-13)9-21-5-6-22(15(21)20-23(24)25)10-12-2-4-14(17)19-8-12/h1-4,7-8H,5-6,9-10H2 |
| InChI Key | WTAOXHZROQPHRB-UHFFFAOYSA-N |
| MDL Number | MFCD01721131 |
| Molecular Formula | C15H14Cl2N6O2 |
| Molecular Weight | 381.2167 |
| SMILES | ClC(C=C1)=NC=C1CN2CCN(CC3=CN=C(Cl)C=C3)/C2=N[N+]([O-])=O |
| Synonyms | 105828-41-9,
Imidacloprid Impurity 1,
CHEMBL2251989,
SCHEMBL10428365,
1,3-Bis[(6-chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine,
N-[1,3-bis[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene]nitramide,
|
| Complexity | 469 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.217g/mol |
| Monoisotopic Mass | 380.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number