3-bromo-1H-indole-4-carbonitrile


Chemical Name: 3-bromo-1H-indole-4-carbonitrile
CAS Number: 1186663-64-8
Product Number: AG003J1M(AGN-PC-09SGCJ)
Synonyms:
MDL No: MFCD12828700
Molecular Formula: C9H5BrN2
Molecular Weight: 221.0534

Identification/Properties


Properties
BP:
405.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
221.057g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
219.964g/mol
Monoisotopic Mass:
219.964g/mol
Topological Polar Surface Area:
39.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
220
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

Safety Information


NMR Spectrum


Other Analytical Data


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