1,2-Benzisoxazol-3(2H)-one, 6-bromo-


Chemical Name: 1,2-Benzisoxazol-3(2H)-one, 6-bromo-
CAS Number: 65685-51-0
Product Number: AG00FD5Q(AGN-PC-004U9V)
Synonyms:
MDL No:
Molecular Formula: C7H4BrNO2
Molecular Weight: 214.0162

Identification/Properties


Computed Properties
Molecular Weight:
214.018g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
212.943g/mol
Monoisotopic Mass:
212.943g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
185
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

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NMR Spectrum


Other Analytical Data


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