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117456-94-7 | 1H-Imidazole, 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-
CAS No: 117456-94-7 Catalog No: AG000EBV MDL No:
Product Description
Catalog Number:
AG000EBV
Chemical Name:
1H-Imidazole, 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-
CAS Number:
117456-94-7
Molecular Formula:
C23H19N3O4
Molecular Weight:
401.4147
IUPAC Name:
4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole
InChI:
InChI=1S/C23H19N3O4/c1-29-19-10-6-15(7-11-19)21-22(16-8-12-20(30-2)13-9-16)25-23(24-21)17-4-3-5-18(14-17)26(27)28/h3-14H,1-2H3,(H,24,25)
InChI Key:
JEOFWOHTZYDLKM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.138g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.422g/mol
Monoisotopic Mass:
401.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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