| CAS Number | 1190603-08-7 |
| Catalog Number | AG00949Y |
| Chemical Name | 1-(Ethanesulfonyl)-2-fluoro-4-nitrobenzene |
| IUPAC Name | 1-ethylsulfonyl-2-fluoro-4-nitrobenzene |
| InChI | InChI=1S/C8H8FNO4S/c1-2-15(13,14)8-4-3-6(10(11)12)5-7(8)9/h3-5H,2H2,1H3 |
| InChI Key | GRTIMSABBAVATP-UHFFFAOYSA-N |
| MDL Number | MFCD23135931 |
| Molecular Formula | C8H8FNO4S |
| Molecular Weight | 233.2168 |
| SMILES | CCS(=O)(=O)c1ccc(cc1F)[N+](=O)[O-] |
| Synonyms | 1-(Ethanesulfonyl)-2-fluoro-4-nitrobenzene,
1190603-08-7,
ZINC95218038,
Z8068,
Benzene, 1-(ethylsulfonyl)-2-fluoro-4-nitro-,
C8H8FNO4S,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.213g/mol |
| Monoisotopic Mass | 233.016g/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 |
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Certificate of Analysis
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