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Trifluoromethylthiobenzene

CAS No.:
456-56-4
Catalog Number:
AG0035QZ
Molecular Formula:
C7H5F3S
Molecular Weight:
178.1748
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>97.0%(GC)
1 week
United States
$92
- +
25g
>97.0%(GC)
1 week
United States
$256
- +
Product Description
Catalog Number:
AG0035QZ
Chemical Name:
Trifluoromethylthiobenzene
CAS Number:
456-56-4
Molecular Formula:
C7H5F3S
Molecular Weight:
178.1748
MDL Number:
MFCD00040839
IUPAC Name:
trifluoromethylsulfanylbenzene
InChI:
InChI=1S/C7H5F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChI Key:
YQQKTCBMKQQOSM-UHFFFAOYSA-N
SMILES:
FC(Sc1ccccc1)(F)F
EC Number:
207-270-0
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.006g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.172g/mol
Monoisotopic Mass:
178.006g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties