4-(Methylsulfonyl)-3-(trifluoromethyl)aniline - CAS 252561-92-5
Catalog: |
BB018823 |
Product Name: |
4-(Methylsulfonyl)-3-(trifluoromethyl)aniline |
CAS: |
252561-92-5 |
Synonyms: |
4-methylsulfonyl-3-(trifluoromethyl)aniline; 4-methylsulfonyl-3-(trifluoromethyl)aniline |
IUPAC Name: | 4-methylsulfonyl-3-(trifluoromethyl)aniline |
Description: | 4-(Methylsulfonyl)-3-(trifluoromethyl)aniline (CAS# 252561-92-5 ) is a useful research chemical. |
Molecular Weight: | 239.21 |
Molecular Formula: | C8H8F3NO2S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=C(C=C1)N)C(F)(F)F |
InChI: | InChI=1S/C8H8F3NO2S/c1-15(13,14)7-3-2-5(12)4-6(7)8(9,10)11/h2-4H,12H2,1H3 |
InChI Key: | MDHRVGGGCCSPMR-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
TW-201504224-A | Novel anthraquinone and pyrrole compound, preparation method thereof and pharmaceutical composition containing same | 20130723 |
WO-2010094415-A1 | Fluorine containing reactive dyes | 20090218 |
EP-1844020-A1 | Heterocyclic carboxamide compounds as steroid nuclear receptor ligands | 20050110 |
EP-1844020-B1 | Heterocyclic carboxamide compounds as steroid nuclear receptor ligands | 20050110 |
WO-2006076202-A1 | Heterocyclic carboxamide compounds as steroid nuclear receptors ligands | 20050110 |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.02278416 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.02278416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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