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100341-38-6 | Benzamide, N-[[[4-[(2-chloro-1,1,2-trifluoroethyl)sulfonyl]-2-fluorophenyl]amino]carbonyl]-2,6-difluoro-
CAS No: 100341-38-6 Catalog No: AG0001NR MDL No:
Product Description
Catalog Number:
AG0001NR
Chemical Name:
Benzamide, N-[[[4-[(2-chloro-1,1,2-trifluoroethyl)sulfonyl]-2-fluorophenyl]amino]carbonyl]-2,6-difluoro-
CAS Number:
100341-38-6
Molecular Formula:
C16H9ClF6N2O4S
Molecular Weight:
474.7621
IUPAC Name:
N-[[4-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
InChI:
InChI=1S/C16H9ClF6N2O4S/c17-14(21)16(22,23)30(28,29)7-4-5-11(10(20)6-7)24-15(27)25-13(26)12-8(18)2-1-3-9(12)19/h1-6,14H,(H2,24,25,26,27)
InChI Key:
WVORQHAOGHAORO-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)S(=O)(=O)C(C(Cl)F)(F)F
Properties
Complexity:
743
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.988g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
474.758g/mol
Monoisotopic Mass:
473.988g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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