2,3-Butanedione, 1-bromo-


Chemical Name: 2,3-Butanedione, 1-bromo-
CAS Number: 5308-51-0
Product Number: AG00DF7P(AGN-PC-0NDF7D)
Synonyms:
MDL No:
Molecular Formula: C4H5BrO2
Molecular Weight: 164.9853

Identification/Properties


Computed Properties
Molecular Weight:
164.986g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
163.947g/mol
Monoisotopic Mass:
163.947g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
97.9
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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