Benzonitrile, 2-bromo-5-hydroxy-


Chemical Name: Benzonitrile, 2-bromo-5-hydroxy-
CAS Number: 189680-06-6
Product Number: AG002DVU(AGN-PC-00OVR5)
Synonyms:
MDL No: MFCD08061922
Molecular Formula: C7H4BrNO
Molecular Weight: 198.0168

Identification/Properties


Computed Properties
Molecular Weight:
198.019g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
196.948g/mol
Monoisotopic Mass:
196.948g/mol
Topological Polar Surface Area:
44A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
162
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


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