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868692-55-1 | Methanesulfonamide, N-[4-chloro-2-iodo-5-(trifluoromethyl)phenyl]-
CAS No: 868692-55-1 Catalog No: AG004PHE MDL No:
Product Description
Catalog Number:
AG004PHE
Chemical Name:
Methanesulfonamide, N-[4-chloro-2-iodo-5-(trifluoromethyl)phenyl]-
CAS Number:
868692-55-1
Molecular Formula:
C8H6ClF3INO2S
Molecular Weight:
399.5564
IUPAC Name:
N-[4-chloro-2-iodo-5-(trifluoromethyl)phenyl]methanesulfonamide
InChI:
InChI=1S/C8H6ClF3INO2S/c1-17(15,16)14-7-2-4(8(10,11)12)5(9)3-6(7)13/h2-3,14H,1H3
InChI Key:
KLXSBEABNFUDND-UHFFFAOYSA-N
SMILES:
Ic1cc(Cl)c(cc1NS(=O)(=O)C)C(F)(F)F
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.88g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.551g/mol
Monoisotopic Mass:
398.88g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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