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100279-18-3 | Benzamide, N-[[[2,5-dichloro-4-[(1,1,2,2-tetrafluoroethyl)thio]phenyl]amino]carbonyl]-2,6-difluoro-
CAS No: 100279-18-3 Catalog No: AG0001G5 MDL No:
Product Description
Catalog Number:
AG0001G5
Chemical Name:
Benzamide, N-[[[2,5-dichloro-4-[(1,1,2,2-tetrafluoroethyl)thio]phenyl]amino]carbonyl]-2,6-difluoro-
CAS Number:
100279-18-3
Molecular Formula:
C16H8Cl2F6N2O2S
Molecular Weight:
477.2083
IUPAC Name:
N-[[2,5-dichloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
InChI:
InChI=1S/C16H8Cl2F6N2O2S/c17-6-5-11(29-16(23,24)14(21)22)7(18)4-10(6)25-15(28)26-13(27)12-8(19)2-1-3-9(12)20/h1-5,14H,(H2,25,26,27,28)
InChI Key:
WOBTYJNPZFIMHV-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)SC(C(F)F)(F)F
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.959g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
477.202g/mol
Monoisotopic Mass:
475.959g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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