1,3-Cyclohexanedione, 2-bromo-


Chemical Name: 1,3-Cyclohexanedione, 2-bromo-
CAS Number: 60060-44-8
Product Number: AG00EDVK(AGN-PC-0KKTTP)
Synonyms:
MDL No:
Molecular Formula: C6H7BrO2
Molecular Weight: 191.0226

Identification/Properties


Properties
MP:
159-161°
BP:
272.6±40.0 °C(Predicted)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
191.024g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
189.963g/mol
Monoisotopic Mass:
189.963g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
137
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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