4-Bromo-2-(trifluoromethoxy)thioanisole - CAS 647856-10-8
Catalog: |
BB062091 |
Product Name: |
4-Bromo-2-(trifluoromethoxy)thioanisole |
CAS: |
647856-10-8 |
Synonyms: |
4-Bromo-2-(trifluoromethoxy)thioanisole; 4-bromo-1-methylsulfanyl-2-(trifluoromethoxy)benzene; (4-BROMO-2-(TRIFLUOROMETHOXY)PHENYL)(METHYL)SULFANE |
IUPAC Name: | 4-bromo-1-methylsulfanyl-2-(trifluoromethoxy)benzene |
Description: | 4-Bromo-2-(trifluoromethoxy)thioanisole |
Molecular Weight: | 287.1 |
Molecular Formula: | C8H6BrF3OS |
Canonical SMILES: | CSC1=C(C=C(C=C1)Br)OC(F)(F)F |
InChI: | InChI=1S/C8H6BrF3OS/c1-14-7-3-2-5(9)4-6(7)13-8(10,11)12/h2-4H,1H3 |
InChI Key: | ZUPJPCAGWVXHQV-UHFFFAOYSA-N |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.92748 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.92748 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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