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86802-68-8 | Benzenesulfonamide, N-[2-(trifluoromethyl)phenyl]-
CAS No: 86802-68-8 Catalog No: AG004MIE MDL No:
Product Description
Catalog Number:
AG004MIE
Chemical Name:
Benzenesulfonamide, N-[2-(trifluoromethyl)phenyl]-
CAS Number:
86802-68-8
Molecular Formula:
C13H10F3NO2S
Molecular Weight:
301.2842
IUPAC Name:
N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C13H10F3NO2S/c14-13(15,16)11-8-4-5-9-12(11)17-20(18,19)10-6-2-1-3-7-10/h1-9,17H
InChI Key:
JHCNJYPAIOXOJV-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Nc1ccccc1C(F)(F)F
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.038g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.283g/mol
Monoisotopic Mass:
301.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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