Benzonitrile, 3-amino-4-bromo-


Chemical Name: Benzonitrile, 3-amino-4-bromo-
CAS Number: 72635-78-0
Product Number: AG0039YX(AGN-PC-074VK7)
Synonyms:
MDL No:
Molecular Formula: C7H5BrN2
Molecular Weight: 197.0320

Identification/Properties


Computed Properties
Molecular Weight:
197.035g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
195.964g/mol
Monoisotopic Mass:
195.964g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
160
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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