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About This Item
Empirical Formula (Hill Notation):
C13H9ClN2
CAS Number:
Molecular Weight:
228.68
MDL number:
UNSPSC Code:
12352100
mp
234-238 °C (lit.)
SMILES string
Clc1ccccc1-c2nc3ccccc3[nH]2
InChI
1S/C13H9ClN2/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16)
InChI key
OILIYWFQRJOPAI-UHFFFAOYSA-N
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Maojiang Song et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 196, 49-57 (2018-02-13)
Due to wide variety of biological and pharmacological activities of benzimidazole derivatives, the differences between 2-(2-Chlorophenyl)benzimidazole and 2-(4-Chlorophenyl) benzimidazole were researched by employing terahertz time-domain spectroscopy and density functional theory systematically. Although the only difference between their molecular configurations is
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