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54001-12-6

54001-12-6 structural image
Product Name: ETHYL 2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
Formula: C13H12ClNO2S
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COMPUTED DESCRIPTORS

Molecular Weight 281.76 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 281.0277275 g/mol
Monoisotopic Mass 281.0277275 g/mol
Topological Polar Surface Area 67.4 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 295
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