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Home > Imidazoles > 15548-89-7
15548-89-7 | 4-(1H-Imidazol-2-yl)phenol
CAS No: 15548-89-7 Catalog No: AG001NYH MDL No:MFCD08668843
Product Description
Catalog Number:
AG001NYH
Chemical Name:
4-(1H-Imidazol-2-yl)phenol
CAS Number:
15548-89-7
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD08668843
IUPAC Name:
4-(1H-imidazol-2-yl)phenol
InChI:
InChI=1S/C9H8N2O/c12-8-3-1-7(2-4-8)9-10-5-6-11-9/h1-6,12H,(H,10,11)
InChI Key:
DIBXSCRTXGVRFD-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1ncc[nH]1
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Characterization of the phenoxyl radical in model complexes for the Cu(B) site of cytochrome c oxidase: steady-state and transient absorption measurements, UV resonance raman spectroscopy, EPR spectroscopy, and DFT calculations for M-BIAIP. | Journal of the American Chemical Society 20061115 |
| Model studies of the Cu(B) site of cytochrome c oxidase utilizing a Zn(II) complex containing an imidazole-phenol cross-linked ligand. | Dalton transactions (Cambridge, England : 2003) 20060721 |
| Dioxygen reactivity of copper and heme-copper complexes possessing an imidazole-phenol cross-link. | Inorganic chemistry 20050307 |
| Copper(I) and copper(II) complexes possessing cross-linked imidazole-phenol ligands: structures and dioxygen reactivity. | Journal of the American Chemical Society 20030521 |
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