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Home > Imidazoles > 142677-42-7
142677-42-7 | 3-(1H-IMIDAZOL-4-YL)-PHENOL
CAS No: 142677-42-7 Catalog No: AG007ZBQ MDL No:
Product Description
Catalog Number:
AG007ZBQ
Chemical Name:
3-(1H-IMIDAZOL-4-YL)-PHENOL
CAS Number:
142677-42-7
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
3-(1H-imidazol-5-yl)phenol
InChI:
InChI=1S/C9H8N2O/c12-8-3-1-2-7(4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)
InChI Key:
PJQHXDBJGQGWHK-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1c[nH]cn1
Properties
Complexity:
152
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:
1.4
Literature
| Title | Journal |
|---|---|
| Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase. | Journal of medicinal chemistry 20080828 |
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