| CAS Number | 767355-69-1 |
| Catalog Number | AG00G9LF(AGN-PC-0WA5AQ) |
| Chemical Name | 2-(Ethanesulfonyl)-5-nitropyridine |
| IUPAC Name | 2-ethylsulfonyl-5-nitropyridine |
| InChI | InChI=1S/C7H8N2O4S/c1-2-14(12,13)7-4-3-6(5-8-7)9(10)11/h3-5H,2H2,1H3 |
| InChI Key | MIZVABBXVWQIQM-UHFFFAOYSA-N |
| MDL Number | MFCD25121757 |
| Molecular Formula | C7H8N2O4S |
| Molecular Weight | 216.2144 |
| SMILES | O=[N+](C1=CN=C(S(=O)(CC)=O)C=C1)[O-] |
| Synonyms | 2-(Ethanesulfonyl)-5-nitropyridine,
767355-69-1,
2-ethylsulfonyl-5-nitropyridine,
2-(Ethylsulfonyl)-5-nitropyridine,
ZINC95495690,
AKOS026673804,
CS-0090641,
V7687,
C7H8N2O4S,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.211g/mol |
| Monoisotopic Mass | 216.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number