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2849-93-6 | 1H-Benzimidazole-2-carboxylic acid
CAS No: 2849-93-6 Catalog No: AG002VIC MDL No:MFCD00721565
Product Description
Catalog Number:
AG002VIC
Chemical Name:
1H-Benzimidazole-2-carboxylic acid
CAS Number:
2849-93-6
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00721565
IUPAC Name:
1H-benzimidazole-2-carboxylic acid
InChI:
InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)
InChI Key:
RHXSYTACTOMVLJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2c([nH]1)cccc2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Bis(1H-benzimidazole-2-carboxyl-ato-κ(2)N(3),O)bis-(ethanol-κO)manganese(II). | Acta crystallographica. Section E, Structure reports online 20121001 |
| Two mononuclear octahedral complexes with benzimidazole-2-carboxylate: supramolecular networks constructed by hydrogen bonds. | Acta crystallographica. Section C, Crystal structure communications 20111101 |
| Cytotoxic and antimicrobial activities of Cu(II), Co(II), Pt(II) and Zn(II) Complexes with N,O-chelating heterocyclic carboxylates. | Archiv der Pharmazie 20110901 |
| 1H-Benzimidazol-3-ium-2-carboxyl-ate dihydrate. | Acta crystallographica. Section E, Structure reports online 20110601 |
| Ethyl 1-benzyl-1,2,3,3a,4,10b-hexa-hydro-pyrrolo-[2',3':3,4]pyrrolo-[1,2-a]benzimidazole-2-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20110501 |
| Chemoselectivity diversity in the reaction of LiNC6F5SiMe3 with nitriles and the synthesis, structure, and reactivity of zirconium mono- and tris[2-(2-pyridyl)tetrafluorobenzimidazolate] complexes. | Inorganic chemistry 20101018 |
| Aqua-bis(1H-benzimidazole-2-carboxyl-ato-κO,N)zinc(II). | Acta crystallographica. Section E, Structure reports online 20100601 |
| Color tuning associated with heteroleptic cyclometalated Ir(III) complexes: influence of the ancillary ligand. | Dalton transactions (Cambridge, England : 2003) 20070521 |
| Lanthanide(III) and Yttrium(III) Complexes of Benzimidazole-2-Acetic Acid: Synthesis, Characterisation and Effect of La(III) Complex on Germination of Wheat. | Bioinorganic chemistry and applications 20060101 |
| Synthesis and acid-base properties of (1H-benzimidazol-2-yl-methyl)phosphonate (Bimp2-). Evidence for intramolecular hydrogen-bond formation in aqueous solution between (N-1)H and the phosphonate group. | Organic & biomolecular chemistry 20030521 |
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