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91173-90-9 | Pyridine, 2-[2-(1H-imidazol-2-yl)-1-phenylethyl]-
CAS No: 91173-90-9 Catalog No: AG006DVQ MDL No:
Product Description
Catalog Number:
AG006DVQ
Chemical Name:
Pyridine, 2-[2-(1H-imidazol-2-yl)-1-phenylethyl]-
CAS Number:
91173-90-9
Molecular Formula:
C16H15N3
Molecular Weight:
249.3104
IUPAC Name:
2-[2-(1H-imidazol-2-yl)-1-phenylethyl]pyridine
InChI:
InChI=1S/C16H15N3/c1-2-6-13(7-3-1)14(12-16-18-10-11-19-16)15-8-4-5-9-17-15/h1-11,14H,12H2,(H,18,19)
InChI Key:
DIBMWCTUWQGPKU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(c1ccccn1)Cc1ncc[nH]1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.317g/mol
Monoisotopic Mass:
249.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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