| CAS Number | 1214241-91-4 |
| Catalog Number | AG01DYIA |
| Chemical Name | 1-(2-chloro-5-nitropyridin-4-yl)ethan-1-one |
| IUPAC Name | 1-(2-chloro-5-nitropyridin-4-yl)ethanone |
| InChI | InChI=1S/C7H5ClN2O3/c1-4(11)5-2-7(8)9-3-6(5)10(12)13/h2-3H,1H3 |
| InChI Key | JTDNETFVCNGPOP-UHFFFAOYSA-N |
| MDL Number | MFCD20482995 |
| Molecular Formula | C7H5ClN2O3 |
| Molecular Weight | 200.5792 |
| SMILES | ClC1=NC=C(C(=C1)C(C)=O)[N+](=O)[O-] |
| Synonyms | 1-(2-CHLORO-5-NITROPYRIDIN-4-YL)ETHANONE,
1214241-91-4,
SCHEMBL2185789,
JTDNETFVCNGPOP-UHFFFAOYSA-N,
AKOS030630611,
AB76449,
1-(2-chloro-5-nitropyridin-4-yl)ethan-1-one,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.578g/mol |
| Monoisotopic Mass | 199.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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