2-Butanone, 1-bromo-3,3-dimethyl-


Chemical Name: 2-Butanone, 1-bromo-3,3-dimethyl-
CAS Number: 5469-26-1
Product Number: AG003E5R(AGN-PC-0JKG0G)
Synonyms:
MDL No:
Molecular Formula: C6H11BrO
Molecular Weight: 179.0549

Identification/Properties


Properties
MP:
−10 °C(lit.)
BP:
189.5°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Refractive Index:
n20/D 1.466(lit.)
Computed Properties
Molecular Weight:
179.057g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
177.999g/mol
Monoisotopic Mass:
177.999g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
91.2
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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