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Home Sulfos 4-​bromo-​N-​[4-​fluoro-​2-​(trifluoromethyl)​phenyl]​-Benzenesulfonamide

4-​bromo-​N-​[4-​fluoro-​2-​(trifluoromethyl)​phenyl]​-Benzenesulfonamide

CAS No.:
1895816-41-7
Catalog Number:
AG01DHAZ
Molecular Formula:
C13H8BrF4NO2S
Molecular Weight:
398.1707
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Product Description
Catalog Number:
AG01DHAZ
Chemical Name:
4-​bromo-​N-​[4-​fluoro-​2-​(trifluoromethyl)​phenyl]​-Benzenesulfonamide
CAS Number:
1895816-41-7
Molecular Formula:
C13H8BrF4NO2S
Molecular Weight:
398.1707
IUPAC Name:
4-bromo-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C13H8BrF4NO2S/c14-8-1-4-10(5-2-8)22(20,21)19-12-6-3-9(15)7-11(12)13(16,17)18/h1-7,19H
InChI Key:
YVUMGYBHZJIBRY-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C(F)(F)F)F
Properties
Complexity:
471  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.94g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
398.17g/mol
Monoisotopic Mass:
396.94g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties