Home Halogens 1H-Imidazole-2-carbonitrile, 5-bromo-

1H-Imidazole-2-carbonitrile, 5-bromo-

CAS No.:
120118-03-8
Catalog Number:
AG000QC9
Molecular Formula:
C4H2BrN3
Molecular Weight:
171.9828
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000QC9
Chemical Name:
1H-Imidazole-2-carbonitrile, 5-bromo-
CAS Number:
120118-03-8
Molecular Formula:
C4H2BrN3
Molecular Weight:
171.9828
MDL Number:
MFCD27922670
IUPAC Name:
5-bromo-1H-imidazole-2-carbonitrile
InChI:
InChI=1S/C4H2BrN3/c5-3-2-7-4(1-6)8-3/h2H,(H,7,8)
InChI Key:
DXZFZIQXGDJVCL-UHFFFAOYSA-N
SMILES:
Brc1cnc([nH]1)C#N
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.943g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.985g/mol
Monoisotopic Mass:
170.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties