3-butoxy-4-chlorobenzoic acid


Chemical Name: 3-butoxy-4-chlorobenzoic acid
CAS Number: 1280786-97-1
Product Number: AG000XS5(AGN-PC-09PZ86)
Synonyms:
MDL No:
Molecular Formula: C11H13ClO3
Molecular Weight: 228.6721

Identification/Properties


Computed Properties
Molecular Weight:
228.672g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
228.055g/mol
Monoisotopic Mass:
228.055g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
208
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

Safety Information


NMR Spectrum


Other Analytical Data


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