Home Sulfos 3-trifluoromethanesulfonylbenzonitrile

3-trifluoromethanesulfonylbenzonitrile

CAS No.:
1274903-99-9
Catalog Number:
AG01AUD8
Molecular Formula:
C8H4F3NO2S
Molecular Weight:
235.1831
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Product Description
Catalog Number:
AG01AUD8
Chemical Name:
3-trifluoromethanesulfonylbenzonitrile
CAS Number:
1274903-99-9
Molecular Formula:
C8H4F3NO2S
Molecular Weight:
235.1831
MDL Number:
MFCD25460328
IUPAC Name:
3-(trifluoromethylsulfonyl)benzonitrile
InChI:
InChI=1S/C8H4F3NO2S/c9-8(10,11)15(13,14)7-3-1-2-6(4-7)5-12/h1-4H
InChI Key:
WXMJEHMFHQKWFX-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)C(F)(F)F
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.18g/mol
Monoisotopic Mass:
234.991g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties