| CAS Number | 154011-05-9 |
| Catalog Number | AG019NE7(AGN-PC-0WO724) |
| Chemical Name | 1-(2-chloroethyl)-5-nitro-1,2-dihydropyridin-2-one |
| IUPAC Name | 1-(2-chloroethyl)-5-nitropyridin-2-one |
| InChI | InChI=1S/C7H7ClN2O3/c8-3-4-9-5-6(10(12)13)1-2-7(9)11/h1-2,5H,3-4H2 |
| InChI Key | NMMWOVAAYDTBRE-UHFFFAOYSA-N |
| MDL Number | MFCD11164695 |
| Molecular Formula | C7H7ClN2O3 |
| Molecular Weight | 202.5951 |
| SMILES | [O-][N+](C1=CN(CCCl)C(=O)C=C1)=O |
| Synonyms | 1-(2-chloroethyl)-5-nitro-1,2-dihydropyridin-2-one,
154011-05-9,
ZINC36883085,
AKOS009293385,
NE33395,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.594g/mol |
| Monoisotopic Mass | 202.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number