4-Bromo-2-(trifluoromethyl)thioanisole - CAS 300356-31-4
Catalog: |
BB071245 |
Product Name: |
4-Bromo-2-(trifluoromethyl)thioanisole |
CAS: |
300356-31-4 |
Synonyms: |
4-Bromo-1-(methylthio)-2-(trifluoromethyl)-benzene; 4-Bromo-2-(trifluoromethyl)thioanisole; 4-bromo-1-methylsulfanyl-2-(trifluoromethyl)benzene; 4-bromo-2-(trifluoromethyl)phenyl methyl sulfide; 4-Bromo-1-(methylthio)-2-(trifluoromethyl)benzene |
IUPAC Name: | 4-bromo-1-methylsulfanyl-2-(trifluoromethyl)benzene |
Description: | 4-Bromo-2-(trifluoromethyl)thioanisole |
Molecular Weight: | 271.1 |
Molecular Formula: | C8H6BrF3S |
Canonical SMILES: | CSC1=C(C=C(C=C1)Br)C(F)(F)F |
InChI: | InChI=1S/C8H6BrF3S/c1-13-7-3-2-5(9)4-6(7)8(10,11)12/h2-4H,1H3 |
InChI Key: | KMADDVSNZFTXEC-UHFFFAOYSA-N |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.93257 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.93257 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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