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Home > Imidazoles > 91022-01-4
91022-01-4 | 1H-Imidazole, 2-[(3-nitrophenyl)azo]-4,5-diphenyl-
CAS No: 91022-01-4 Catalog No: AG006FPB MDL No:
Product Description
Catalog Number:
AG006FPB
Chemical Name:
1H-Imidazole, 2-[(3-nitrophenyl)azo]-4,5-diphenyl-
CAS Number:
91022-01-4
Molecular Formula:
C21H15N5O2
Molecular Weight:
369.3761
IUPAC Name:
(4,5-diphenyl-1H-imidazol-2-yl)-(3-nitrophenyl)diazene
InChI:
InChI=1S/C21H15N5O2/c27-26(28)18-13-7-12-17(14-18)24-25-21-22-19(15-8-3-1-4-9-15)20(23-21)16-10-5-2-6-11-16/h1-14H,(H,22,23)
InChI Key:
XXBJHAJSKOGCHE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)N=Nc1nc(c([nH]1)c1ccccc1)c1ccccc1
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.123g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.384g/mol
Monoisotopic Mass:
369.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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