4H-1-Benzopyran-4-one, 3-bromo-


Chemical Name: 4H-1-Benzopyran-4-one, 3-bromo-
CAS Number: 49619-82-1
Product Number: AG003J1V(AGN-PC-0JS9XK)
Synonyms:
MDL No:
Molecular Formula: C9H5BrO2
Molecular Weight: 225.0388

Identification/Properties


Properties
MP:
94-98 °C(lit.);
BP:
269.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
225.041g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
223.947g/mol
Monoisotopic Mass:
223.947g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
235
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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