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144214-40-4

144214-40-4 structural image
Product Name: 2-[(2-chlorobenzyl)thio]aniline
Formula: C13H12ClNS
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 3.3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 249.76 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 249.0378983 g/mol
Monoisotopic Mass 249.0378983 g/mol
Topological Polar Surface Area 51.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 212
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes