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Home > Fluorides > 905098-45-5
905098-45-5 | 3-(Trifluoromethoxy)phenyl methyl sulfide
CAS No: 905098-45-5 Catalog No: AG01EYZE MDL No:
Product Description
Catalog Number:
AG01EYZE
Chemical Name:
3-(Trifluoromethoxy)phenyl methyl sulfide
CAS Number:
905098-45-5
Molecular Formula:
C8H7F3OS
Molecular Weight:
208.2008
IUPAC Name:
1-methylsulfanyl-3-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H7F3OS/c1-13-7-4-2-3-6(5-7)12-8(9,10)11/h2-5H,1H3
InChI Key:
HDYKUYHPGSJVBC-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)OC(F)(F)F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.198g/mol
Monoisotopic Mass:
208.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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