| CAS Number | 98997-45-6 |
| Catalog Number | AG01AIAU |
| Chemical Name | ethyl 2-[(5-nitropyridin-2-yl)amino]acetate |
| IUPAC Name | ethyl 2-[(5-nitropyridin-2-yl)amino]acetate |
| InChI | InChI=1S/C9H11N3O4/c1-2-16-9(13)6-11-8-4-3-7(5-10-8)12(14)15/h3-5H,2,6H2,1H3,(H,10,11) |
| InChI Key | JHRJMJQDEVTQBG-UHFFFAOYSA-N |
| MDL Number | MFCD12157504 |
| Molecular Formula | C9H11N3O4 |
| Molecular Weight | 225.2013 |
| SMILES | CCOC(CNC1=NC=C([N+]([O-])=O)C=C1)=O |
| Synonyms | ethyl 2-[(5-nitropyridin-2-yl)amino]acetate,
98997-45-6,
ZINC37472719,
AKOS010027955,
MCULE-2507004154,
NE28039,
ethyl N-(5-nitropyridin-2-yl)glycinate,
EN300-77253,
Z1267881741,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.204g/mol |
| Monoisotopic Mass | 225.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 97A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number