4-Fluoro-2-(methylsulfanyl)-1-nitrobenzene - CAS 78227-84-6
Catalog: |
BB063469 |
Product Name: |
4-Fluoro-2-(methylsulfanyl)-1-nitrobenzene |
CAS: |
78227-84-6 |
Synonyms: |
4-Fluoro-2-(methylsulfanyl)-1-nitrobenzene; 4-fluoro-2-methylsulfanyl-1-nitrobenzene; (5-fluoro-2-nitrophenyl)(methyl)sulfane; Methyl(2-nitro-5-fluorophenyl) sulfide |
IUPAC Name: | 4-fluoro-2-methylsulfanyl-1-nitrobenzene |
Description: | 4-Fluoro-2-(methylsulfanyl)-1-nitrobenzene |
Molecular Weight: | 187.19 |
Molecular Formula: | C7H6FNO2S |
Canonical SMILES: | CSC1=C(C=CC(=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6FNO2S/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3 |
InChI Key: | YRTOKUYTGQNTNG-UHFFFAOYSA-N |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.01032777 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.01032777 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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