| CAS Number | 31594-44-2 |
| Catalog Number | AG01AIOB(AGN-PC-0NKX7S) |
| Chemical Name | 2-Ethoxy-3-nitropyridine |
| IUPAC Name | 2-ethoxy-3-nitropyridine |
| InChI | InChI=1S/C7H8N2O3/c1-2-12-7-6(9(10)11)4-3-5-8-7/h3-5H,2H2,1H3 |
| InChI Key | KJTXUEVNNJSFJA-UHFFFAOYSA-N |
| MDL Number | MFCD08461724 |
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.1500 |
| SMILES | CCOC1=C([N+]([O-])=O)C=CC=N1 |
| Synonyms | 2-ETHOXY-3-NITROPYRIDINE,
31594-44-2,
2-ethoxy-3-nitro-pyridine,
SCHEMBL6376744,
KJTXUEVNNJSFJA-UHFFFAOYSA-N,
ZINC95082658,
AKOS006289721,
NE56857,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.152g/mol |
| Monoisotopic Mass | 168.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number