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54627-94-0 | 5-(1H-BENZOIMIDAZOL-2-YL)-PYRIDIN-2-OL
CAS No: 54627-94-0 Catalog No: AG00DBC6 MDL No:MFCD07366325
Product Description
Catalog Number:
AG00DBC6
Chemical Name:
5-(1H-BENZOIMIDAZOL-2-YL)-PYRIDIN-2-OL
CAS Number:
54627-94-0
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
MDL Number:
MFCD07366325
IUPAC Name:
5-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
InChI:
InChI=1S/C12H9N3O/c16-11-6-5-8(7-13-11)12-14-9-3-1-2-4-10(9)15-12/h1-7H,(H,13,16)(H,14,15)
InChI Key:
SVRLGIZVNZPDAS-UHFFFAOYSA-N
SMILES:
Oc1ccc(cn1)c1nc2c([nH]1)cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.224g/mol
Monoisotopic Mass:
211.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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