Home Other Building Blocks 1-FLUORO-4-(TRIFLUOROMETHYLTHIO)BENZENE

1-FLUORO-4-(TRIFLUOROMETHYLTHIO)BENZENE

CAS No.:
940-76-1
Catalog Number:
AG003EC4
Molecular Formula:
C7H4F4S
Molecular Weight:
196.1653
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Product Description
Catalog Number:
AG003EC4
Chemical Name:
1-FLUORO-4-(TRIFLUOROMETHYLTHIO)BENZENE
CAS Number:
940-76-1
Molecular Formula:
C7H4F4S
Molecular Weight:
196.1653
MDL Number:
MFCD00040978
IUPAC Name:
1-fluoro-4-(trifluoromethylsulfanyl)benzene
InChI:
InChI=1S/C7H4F4S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
InChI Key:
BTKQCAUEXFTVNT-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)SC(F)(F)F
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.997g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.163g/mol
Monoisotopic Mass:
195.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties