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100341-46-6 | Benzamide, N-[[[2,3-dichloro-4-[(2-chloro-1,1,2-trifluoroethyl)sulfinyl]phenyl]amino]carbonyl]-2,6-difluoro-
CAS No: 100341-46-6 Catalog No: AG0001NP MDL No:
Product Description
Catalog Number:
AG0001NP
Chemical Name:
Benzamide, N-[[[2,3-dichloro-4-[(2-chloro-1,1,2-trifluoroethyl)sulfinyl]phenyl]amino]carbonyl]-2,6-difluoro-
CAS Number:
100341-46-6
Molecular Formula:
C16H8Cl3F5N2O3S
Molecular Weight:
509.6623
IUPAC Name:
N-[[2,3-dichloro-4-(2-chloro-1,1,2-trifluoroethyl)sulfinylphenyl]carbamoyl]-2,6-difluorobenzamide
InChI:
InChI=1S/C16H8Cl3F5N2O3S/c17-11-8(4-5-9(12(11)18)30(29)16(23,24)14(19)22)25-15(28)26-13(27)10-6(20)2-1-3-7(10)21/h1-5,14H,(H2,25,26,27,28)
InChI Key:
FIKJMANZVNWJOD-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1Cl)Cl)S(=O)C(C(Cl)F)(F)F
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.924g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
509.653g/mol
Monoisotopic Mass:
507.924g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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