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100278-98-6 | Benzamide, N-[[[2-chloro-4-[(1,1,2,2-tetrafluoroethyl)thio]phenyl]amino]carbonyl]-2,6-difluoro-
CAS No: 100278-98-6 Catalog No: AG0001G6 MDL No:
Product Description
Catalog Number:
AG0001G6
Chemical Name:
Benzamide, N-[[[2-chloro-4-[(1,1,2,2-tetrafluoroethyl)thio]phenyl]amino]carbonyl]-2,6-difluoro-
CAS Number:
100278-98-6
Molecular Formula:
C16H9ClF6N2O2S
Molecular Weight:
442.7633
IUPAC Name:
N-[[2-chloro-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
InChI:
InChI=1S/C16H9ClF6N2O2S/c17-8-6-7(28-16(22,23)14(20)21)4-5-11(8)24-15(27)25-13(26)12-9(18)2-1-3-10(12)19/h1-6,14H,(H2,24,25,26,27)
InChI Key:
SEBQBPOBDRQBIV-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1Cl)SC(C(F)F)(F)F
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.998g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
442.76g/mol
Monoisotopic Mass:
441.998g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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