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Home > Imidazoles > 134-66-7
134-66-7 | 2-HYDROXYBENZYLBENZO[D]IMIDAZOLE
CAS No: 134-66-7 Catalog No: AG007ZVQ MDL No:
Product Description
Catalog Number:
AG007ZVQ
Chemical Name:
2-HYDROXYBENZYLBENZO[D]IMIDAZOLE
CAS Number:
134-66-7
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
2-(1H-benzimidazol-2-ylmethyl)phenol
InChI:
InChI=1S/C14H12N2O/c17-13-8-4-1-5-10(13)9-14-15-11-6-2-3-7-12(11)16-14/h1-8,17H,9H2,(H,15,16)
InChI Key:
OLNLWAVOTVONIX-UHFFFAOYSA-N
SMILES:
Oc1ccccc1Cc1nc2c([nH]1)cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| A theoretical study of substituent effects on tautomerism of 2-hydroxybenzimidazoles. | Journal of molecular modeling 20031201 |
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