1-(Ethanesulfonyl)-2-fluoro-4-nitrobenzene - CAS 1190603-08-7
Catalog: |
BB065745 |
Product Name: |
1-(Ethanesulfonyl)-2-fluoro-4-nitrobenzene |
CAS: |
1190603-08-7 |
Synonyms: |
1-(Ethanesulfonyl)-2-fluoro-4-nitrobenzene; 1-ethylsulfonyl-2-fluoro-4-nitrobenzene |
IUPAC Name: | 1-ethylsulfonyl-2-fluoro-4-nitrobenzene |
Description: | 1-(Ethanesulfonyl)-2-fluoro-4-nitrobenzene |
Molecular Weight: | 233.22 |
Molecular Formula: | C8H8FNO4S |
Canonical SMILES: | CCS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F |
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 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.01580707 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.01580707 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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