Butanoic acid, 3-bromo-2-oxo-, ethyl ester


Chemical Name: Butanoic acid, 3-bromo-2-oxo-, ethyl ester
CAS Number: 57332-84-0
Product Number: AG00EEQT(AGN-PC-0NG5ZL)
Synonyms:
MDL No:
Molecular Formula: C6H9BrO3
Molecular Weight: 209.0379

Identification/Properties


Computed Properties
Molecular Weight:
209.039g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
207.974g/mol
Monoisotopic Mass:
207.974g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
144
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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