| CAS Number | 1452577-23-9 |
| Catalog Number | AG00IS5K(AGN-PC-0WAYW8) |
| Chemical Name | N-(2-([3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino)ethyl)-2-isocyanoacetamide |
| IUPAC Name | N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2-isocyanoacetamide |
| InChI | InChI=1S/C11H10ClF3N4O/c1-16-6-9(20)17-2-3-18-10-8(12)4-7(5-19-10)11(13,14)15/h4-5H,2-3,6H2,(H,17,20)(H,18,19) |
| InChI Key | NOBWAOZMYIULOW-UHFFFAOYSA-N |
| MDL Number | MFCD22375447 |
| Molecular Formula | C11H10ClF3N4O |
| Molecular Weight | 306.6715 |
| SMILES | ClC1(=C(N=CC(=C1)C(F)(F)F)NCCNC(=O)C[N+]#[C-]) |
| Synonyms | N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-2-isocyanoacetamide,
1452577-23-9,
KS-000023SN,
ZX-RL003559,
MFCD22375447,
AKOS015991313,
ZINC100542780,
CG-0005,
PC200344,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.673g/mol |
| Monoisotopic Mass | 306.05g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number