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Home Sulfos 4-(Trifluoromethylsulfonyl)aniline

4-(Trifluoromethylsulfonyl)aniline

CAS No.:
473-27-8
Catalog Number:
AG003KC2
Molecular Formula:
C7H6F3NO2S
Molecular Weight:
225.1882
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$44
- +
1g
95%
In Stock USA
United States
$119
- +
Product Description
Catalog Number:
AG003KC2
Chemical Name:
4-(Trifluoromethylsulfonyl)aniline
CAS Number:
473-27-8
Molecular Formula:
C7H6F3NO2S
Molecular Weight:
225.1882
MDL Number:
MFCD00182685
IUPAC Name:
4-(trifluoromethylsulfonyl)aniline
InChI:
InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2
InChI Key:
GNVFCXUZQGCXPB-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)c1ccc(cc1)N)(F)F
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.007g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.185g/mol
Monoisotopic Mass:
225.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties