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54001-17-1

54001-17-1 structural image
Product Name: 2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
Formula: C11H8ClNO2S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 33.2 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 253.71 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 252.9964274 g/mol
Monoisotopic Mass 252.9964274 g/mol
Topological Polar Surface Area 78.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 269
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