5-Fluoro-2-(methylsulphonyl)nitrobenzene - CAS 518990-79-9
Catalog: |
BB027643 |
Product Name: |
5-Fluoro-2-(methylsulphonyl)nitrobenzene |
CAS: |
518990-79-9 |
Synonyms: |
4-fluoro-1-methylsulfonyl-2-nitrobenzene; 4-fluoro-1-methylsulfonyl-2-nitrobenzene |
IUPAC Name: | 4-fluoro-1-methylsulfonyl-2-nitrobenzene |
Description: | 5-Fluoro-2-(methylsulphonyl)nitrobenzene (CAS# 518990-79-9) is a useful research chemical. |
Molecular Weight: | 219.19 |
Molecular Formula: | C7H6FNO4S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=C(C=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6FNO4S/c1-14(12,13)7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3 |
InChI Key: | DIUCTHUYGZNUJD-UHFFFAOYSA-N |
MDL: | MFCD09264537 |
LogP: | 2.74140 |
Publication Number | Title | Priority Date |
WO-2020123855-A1 | Inhibitor compounds for male contraception | 20181212 |
US-2014349368-A1 | Potent non-urea inhibitors of soluble epoxide hydrolase | 20090108 |
US-8653273-B2 | Potent non-urea inhibitors of soluble epoxide hydrolase | 20090108 |
US-9175285-B2 | Potent non-urea inhibitors of soluble epdxide hydrolase | 20090108 |
EP-2103596-A1 | Process for the preparation of N-(phenylethyl) anilines salts and solvates thereof useful as serotonin 5-HT6 antagonists | 20080318 |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.00015701 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.00015701 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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