Free Chemical Databases
-
[Synonyms]
NSC140259
52920-43-1
[Structure]
[ Properties Computed from Structure]
Molecular Weight 323.20494 [g/mol] Molecular Formula C14H11BrO2S XLogP 4.3 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 3 Exact Mass 321.966313 MonoIsotopic Mass 321.966313 Topological Polar Surface Area 34.1 Heavy Atom Count 18 Formal Charge 0 Complexity 383 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: (2-bromo-2-phenylethenyl)sulfonylbenzene
Canonical SMILES: C1=CC=C(C=C1)C(=CS(=O)(=O)C2=CC=CC=C2)Br
InChI: InChI=1/C14H11BrO2S/c15-14(12-7-3-1-4-8-12)11-18(16,
17)13-9-5-2-6-10-13/h1-11H
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