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Home > Fluorides > 933674-88-5
933674-88-5 | 4-(4-(trifluoromethylthio)phenylsulfonyl)aniline
CAS No: 933674-88-5 Catalog No: AG01EZCN MDL No:
Product Description
Catalog Number:
AG01EZCN
Chemical Name:
4-(4-(trifluoromethylthio)phenylsulfonyl)aniline
CAS Number:
933674-88-5
Molecular Formula:
C13H10F3NO2S2
Molecular Weight:
333.3492
IUPAC Name:
4-[4-(trifluoromethylsulfanyl)phenyl]sulfonylaniline
InChI:
InChI=1S/C13H10F3NO2S2/c14-13(15,16)20-10-3-7-12(8-4-10)21(18,19)11-5-1-9(17)2-6-11/h1-8H,17H2
InChI Key:
VJOQFKOBRVOEEP-UHFFFAOYSA-N
SMILES:
FC(Sc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N)(F)F
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.011g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.343g/mol
Monoisotopic Mass:
333.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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