1-Fluoro-2-(methylsulphonyl)-4-nitrobenzene - CAS 914636-41-2
Catalog: |
BB063475 |
Product Name: |
1-Fluoro-2-(methylsulphonyl)-4-nitrobenzene |
CAS: |
914636-41-2 |
Synonyms: |
1-Fluoro-2-(methylsulphonyl)-4-nitrobenzene; 1-fluoro-2-(methylsulfonyl)-4-nitrobenzene; 1-fluoro-2-methanesulfonyl-4-nitrobenzene; 1-fluoro-2-methylsulfonyl-4-nitrobenzene |
IUPAC Name: | 1-fluoro-2-methylsulfonyl-4-nitrobenzene |
Description: | 1-Fluoro-2-(methylsulphonyl)-4-nitrobenzene |
Molecular Weight: | 219.19 |
Molecular Formula: | C7H6FNO4S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F |
InChI: | InChI=1S/C7H6FNO4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3 |
InChI Key: | KEHWURDASSIIAC-UHFFFAOYSA-N |
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: | 88.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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