Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, methyl ester


Chemical Name: Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, methyl ester
CAS Number: 57153-18-1
Product Number: AG00E9L5(AGN-PC-0JSA8O)
Synonyms:
MDL No:
Molecular Formula: C12H15ClO3
Molecular Weight: 242.6987

Identification/Properties


Computed Properties
Molecular Weight:
242.699g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
242.071g/mol
Monoisotopic Mass:
242.071g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
220
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

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NMR Spectrum


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