5-BROMO-2-CHLOROISONICOTINONITRILE


Chemical Name: 5-BROMO-2-CHLOROISONICOTINONITRILE
CAS Number: 1211515-17-1
Product Number: AG009LTO(AGN-PC-0WALHT)
Synonyms:
MDL No:
Molecular Formula: C6H2BrClN2
Molecular Weight: 217.4505

Identification/Properties


Computed Properties
Molecular Weight:
217.45g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
215.909g/mol
Monoisotopic Mass:
215.909g/mol
Topological Polar Surface Area:
36.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
164
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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