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100341-77-3 | Benzamide, N-[[[2-bromo-4-[(2-chloro-1,1,2-trifluoroethyl)sulfonyl]phenyl]amino]carbonyl]-2,6-difluoro-
CAS No: 100341-77-3 Catalog No: AG0001NO MDL No:
Product Description
Catalog Number:
AG0001NO
Chemical Name:
Benzamide, N-[[[2-bromo-4-[(2-chloro-1,1,2-trifluoroethyl)sulfonyl]phenyl]amino]carbonyl]-2,6-difluoro-
CAS Number:
100341-77-3
Molecular Formula:
C16H9BrClF5N2O4S
Molecular Weight:
535.6677
IUPAC Name:
N-[[2-bromo-4-(2-chloro-1,1,2-trifluoroethyl)sulfonylphenyl]carbamoyl]-2,6-difluorobenzamide
InChI:
InChI=1S/C16H9BrClF5N2O4S/c17-8-6-7(30(28,29)16(22,23)14(18)21)4-5-11(8)24-15(27)25-13(26)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,24,25,26,27)
InChI Key:
SPOTUEBEHFXFKZ-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1Br)S(=O)(=O)C(C(Cl)F)(F)F
Properties
Complexity:
746
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
533.908g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
535.664g/mol
Monoisotopic Mass:
533.908g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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