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Homecas521915-96-8

521915-96-8

521915-96-8 structural image
Product Name: 2-CHLORO-3-(CHLOROMETHYL)-7-METHYLQUINOLINE
Formula: C11H9Cl2N
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 3.7 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 226.10 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 225.0112047 g/mol
Monoisotopic Mass 225.0112047 g/mol
Topological Polar Surface Area 12.9 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 198
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