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Home > Imidazoles > 76300-74-8
76300-74-8 | Phosphonic acid, (1H-benzimidazol-2-ylmethyl)-
CAS No: 76300-74-8 Catalog No: AG008O1R MDL No:
Product Description
Catalog Number:
AG008O1R
Chemical Name:
Phosphonic acid, (1H-benzimidazol-2-ylmethyl)-
CAS Number:
76300-74-8
Molecular Formula:
C8H9N2O3P
Molecular Weight:
212.1424
IUPAC Name:
1H-benzimidazol-2-ylmethylphosphonic acid
InChI:
InChI=1S/C8H9N2O3P/c11-14(12,13)5-8-9-6-3-1-2-4-7(6)10-8/h1-4H,5H2,(H,9,10)(H2,11,12,13)
InChI Key:
BELRDOYOECQWFP-UHFFFAOYSA-N
SMILES:
OP(=O)(Cc1nc2c([nH]1)cccc2)O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.145g/mol
Monoisotopic Mass:
212.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Metal ion-binding properties of (1H-benzimidazol-2-yl-methyl)phosphonate (Bimp2-) in aqueous solution. Isomeric equilibria, extent of chelation, and a new quantification method for the chelate effect. | Inorganic chemistry 20040223 |
| 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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