4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic acid


Chemical Name: 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic acid
CAS Number: 82749-70-0
Product Number: AG008IWA(AGN-PC-0MY9SA)
Synonyms:
MDL No: MFCD07783995
Molecular Formula: C22H28Cl2O4
Molecular Weight: 427.3613

Identification/Properties


Computed Properties
Molecular Weight:
427.362g/mol
XLogP3:
6.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
9
Exact Mass:
426.136g/mol
Monoisotopic Mass:
426.136g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
563
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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