Home Nitriles 4-(Pentafluorothio)Benzonitrile

4-(Pentafluorothio)Benzonitrile

CAS No.:
401892-85-1
Catalog Number:
AG003AXT
Molecular Formula:
C7H4F5NS
Molecular Weight:
229.1704
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Product Description
Catalog Number:
AG003AXT
Chemical Name:
4-(Pentafluorothio)Benzonitrile
CAS Number:
401892-85-1
Molecular Formula:
C7H4F5NS
Molecular Weight:
229.1704
MDL Number:
MFCD03788521
IUPAC Name:
4-(pentafluoro-λ6-sulfanyl)benzonitrile
InChI:
InChI=1S/C7H4F5NS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-4H
InChI Key:
SGACKKUEROEDNX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S(F)(F)(F)(F)F
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.998g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.168g/mol
Monoisotopic Mass:
228.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties