1(3H)-Isobenzofuranone, bromo-


Chemical Name: 1(3H)-Isobenzofuranone, bromo-
CAS Number: 6940-49-4
Product Number: AG003J51(AGN-PC-0JM1RE)
Synonyms:
MDL No:
Molecular Formula: C8H5BrO2
Molecular Weight: 213.0281

Identification/Properties


Properties
MP:
86 °C
BP:
306.9 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
213.03g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
211.947g/mol
Monoisotopic Mass:
211.947g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
181
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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