2-bromo-1,3-benzothiazole-6-carbonitrile


Chemical Name: 2-bromo-1,3-benzothiazole-6-carbonitrile
CAS Number: 864265-77-0
Product Number: AG004XAU(AGN-PC-050RMZ)
Synonyms:
MDL No:
Molecular Formula: C8H3BrN2S
Molecular Weight: 239.0918

Identification/Properties


Properties
MP:
180-182℃
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
239.09g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
237.92g/mol
Monoisotopic Mass:
237.92g/mol
Topological Polar Surface Area:
64.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
224
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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