Home Sulfos S-trifluoromethyl-p-fluorophenylsulfoximine

S-trifluoromethyl-p-fluorophenylsulfoximine

CAS No.:
109139-20-0
Catalog Number:
AG008WHQ
Molecular Formula:
C7H5F4NOS
Molecular Weight:
227.1793
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Product Description
Catalog Number:
AG008WHQ
Chemical Name:
S-trifluoromethyl-p-fluorophenylsulfoximine
CAS Number:
109139-20-0
Molecular Formula:
C7H5F4NOS
Molecular Weight:
227.1793
MDL Number:
MFCD16660921
IUPAC Name:
(4-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane
InChI:
InChI=1S/C7H5F4NOS/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4,12H
InChI Key:
ZHIJDUORJHKUMW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)S(=O)(=N)C(F)(F)F
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.003g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.177g/mol
Monoisotopic Mass:
227.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties