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Home Nitriles 1H-Benzimidazole-2-carbonitrile

1H-Benzimidazole-2-carbonitrile

CAS No.:
6868-37-7
Catalog Number:
AG00FA6R
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00FA6R
Chemical Name:
1H-Benzimidazole-2-carbonitrile
CAS Number:
6868-37-7
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
MDL Number:
MFCD00493627
IUPAC Name:
1H-benzimidazole-2-carbonitrile
InChI:
InChI=1S/C8H5N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,(H,10,11)
InChI Key:
VEKMJKMSTPFHQD-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c([nH]1)cccc2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
143.149g/mol
Monoisotopic Mass:
143.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Application of 2-trichloromethylbenzimidazole in analytical chemistry: a highly selective chromogenic reagent for thin-layer chromatography and some other analytical uses. Journal of analytical methods in chemistry 20120101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties