Clofenoxyde

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Clofenoxyde

CAS No.:3030-53-3
Synonyms: stamycil;CB-2087; 
Properties Computed from Structure:
Molecular Weight 323.17068 [g/mol] 
Molecular Formula C16H12Cl2O3 
XLogP 3.7 
H-Bond Donor 0 
H-Bond Acceptor 3 
Rotatable Bond Count 6 
Tautomer Count 3 
Exact Mass 322.01635 
MonoIsotopic Mass 322.01635 
Topological Polar Surface Area 43.4 
Heavy Atom Count 21 
Formal Charge 0 
Complexity 323 
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 
Descriptors Computed from Structure:
IUPAC Name: 2-chloro-1-[4-[4-(2-chloroacetyl)phenoxy]phenyl]ethanone
Canonical SMILES: C1=CC(=CC=C1C(=O)CCl)OC2=CC=C(C=C2)C(=O)CCl
InChI: InChI=1/C16H12Cl2O3/c17-9-15(19)11-1-5-13(6-2-11)21-14-7-3-12(4-8-14)16
(20)10-18/h1-8H,9-10H2

 

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