1H-Indazole-5-carbonitrile, 3-bromo-


Chemical Name: 1H-Indazole-5-carbonitrile, 3-bromo-
CAS Number: 395101-67-4
Product Number: AG003IZH(AGN-PC-0O9UTX)
Synonyms:
MDL No:
Molecular Formula: C8H4BrN3
Molecular Weight: 222.0415

Identification/Properties


Properties
BP:
425.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
222.045g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
220.959g/mol
Monoisotopic Mass:
220.959g/mol
Topological Polar Surface Area:
52.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
222
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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