Butanoic acid, 2-(4-bromophenoxy)-3-methyl-


Chemical Name: Butanoic acid, 2-(4-bromophenoxy)-3-methyl-
CAS Number: 63403-28-1
Product Number: AG019VFJ(AGN-PC-01V1OY)
Synonyms:
MDL No:
Molecular Formula: C11H13BrO3
Molecular Weight: 273.1231

Identification/Properties


Computed Properties
Molecular Weight:
273.126g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
272.005g/mol
Monoisotopic Mass:
272.005g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
210
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

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NMR Spectrum


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