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3-(1H-Benzimidazol-2-Yl)-Benzoic Acid
[CAS# 402944-81-4]

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Identification
Name 3-(1H-Benzimidazol-2-Yl)-Benzoic Acid
Synonyms Zinc00196419
Molecular Structure CAS#: 402944-81-4, 3-(1H-Benzimidazol-2-Yl)-Benzoic Acid
Molecular Formula C14H9N2O2
Molecular Weight 237.24
CAS Registry Number 402944-81-4
SMILES C1=CC2=C(C=C1)N=C([NH]2)C3=CC(=CC=C3)C(=O)[O-]
InChI 1S/C14H10N2O2/c17-14(18)10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,(H,15,16)(H,17,18)/p-1
InChIKey BQKXFNQLZLSSEP-UHFFFAOYSA-M
Properties
Boiling point 530.382°C at 760 mmHg (Cal.)
Flash point 274.565°C (Cal.)
Safety Data
SDS Available
References
(1) Chen, Y and Shoichet BK. Molecular docking and ligand specificity in fragment-based inhibitor design, Nature Chemical Biology, 2009
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