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28639-38-5 | 1H-Imidazole, 4,5-dihydro-1-(4-nitrophenyl)-2-phenyl-
CAS No: 28639-38-5 Catalog No: AG002VY2 MDL No:
Product Description
Catalog Number:
AG002VY2
Chemical Name:
1H-Imidazole, 4,5-dihydro-1-(4-nitrophenyl)-2-phenyl-
CAS Number:
28639-38-5
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
IUPAC Name:
1-(4-nitrophenyl)-2-phenyl-4,5-dihydroimidazole
InChI:
InChI=1S/C15H13N3O2/c19-18(20)14-8-6-13(7-9-14)17-11-10-16-15(17)12-4-2-1-3-5-12/h1-9H,10-11H2
InChI Key:
QONIJWGLWMWSPF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1CCN=C1c1ccccc1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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