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6868-37-7 | 2-BENZIMIDAZOLCARBONITRILE
CAS No: 6868-37-7 Catalog No: AG00FA6R MDL No:MFCD00493627
Product Description
Catalog Number:
AG00FA6R
Chemical Name:
2-BENZIMIDAZOLCARBONITRILE
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 |
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