| CAS Number | 7205-81-4 |
| Catalog Number | AG005Z8J(AGN-PC-0KGPW5) |
| Chemical Name | 1-(Ethanesulfonyl)-4-nitrobenzene |
| IUPAC Name | 1-ethylsulfonyl-4-nitrobenzene |
| InChI | InChI=1S/C8H9NO4S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3 |
| InChI Key | CWGQPJLXSDTODA-UHFFFAOYSA-N |
| MDL Number | MFCD00025084 |
| Molecular Formula | C8H9NO4S |
| Molecular Weight | 215.2264 |
| SMILES | CCS(=O)(=O)c1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 1-(ETHANESULFONYL)-4-NITROBENZENE,
7205-81-4,
1-(ethylsulfonyl)-4-nitrobenzene,
Benzene, 1-(ethylsulfonyl)-4-nitro-,
1-ethylsulfonyl-4-nitrobenzene,
AC1M71F0,
SCHEMBL2296287,
CTK2H2987,
DTXSID90368742,
CWGQPJLXSDTODA-UHFFFAOYSA-N,
ZINC3342694,
KM1446,
AKOS022797306,
MCULE-3580595560,
V7475,
Z57054222,
C8H9NO4S,
ZINC03342694,
CID2459146,
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.223g/mol |
| Monoisotopic Mass | 215.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number