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86575-09-9 | N-[[3,5-dichloro-4-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]carbamoyl]-2,6-difluoro-benzamide
CAS No: 86575-09-9 Catalog No: AG004PKJ MDL No:
Product Description
Catalog Number:
AG004PKJ
Chemical Name:
N-[[3,5-dichloro-4-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]carbamoyl]-2,6-difluoro-benzamide
CAS Number:
86575-09-9
Molecular Formula:
C20H9Cl3F5N3O3
Molecular Weight:
540.6548
IUPAC Name:
N-[[3,5-dichloro-4-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide
InChI:
InChI=1S/C20H9Cl3F5N3O3/c21-10-6-9(29-19(33)31-18(32)16-12(24)2-1-3-13(16)25)7-11(22)17(10)34-15-5-8(20(26,27)28)4-14(23)30-15/h1-7H,(H2,29,31,32,33)
InChI Key:
IYXOQOUBEICDIU-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1nc(Cl)cc(c1)C(F)(F)F
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
538.963g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
540.652g/mol
Monoisotopic Mass:
538.963g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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