Butanoic acid, 4-bromo-3-oxo-, ethyl ester


Chemical Name: Butanoic acid, 4-bromo-3-oxo-, ethyl ester
CAS Number: 13176-46-0
Product Number: AG000ZOV(AGN-PC-0JT5EA)
Synonyms:
MDL No: MFCD07783015
Molecular Formula: C6H9BrO3
Molecular Weight: 209.0379

Identification/Properties


Properties
BP:
231.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
1.5281 (estimate)
Computed Properties
Molecular Weight:
209.039g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
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:
133
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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