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Home > Imidazoles > 2654-34-4
2654-34-4 | 1H-Imidazole, 1-hydroxy-2,4,5-triphenyl-, 3-oxide
CAS No: 2654-34-4 Catalog No: AG002TMO MDL No:
Product Description
Catalog Number:
AG002TMO
Chemical Name:
1H-Imidazole, 1-hydroxy-2,4,5-triphenyl-, 3-oxide
CAS Number:
2654-34-4
Molecular Formula:
C21H16N2O2
Molecular Weight:
328.3639
IUPAC Name:
1-hydroxy-3-oxido-2,4,5-triphenylimidazol-3-ium
InChI:
InChI=1S/C21H16N2O2/c24-22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23(25)21(22)18-14-8-3-9-15-18/h1-15,24H
InChI Key:
CJGSWNPECYLQHZ-UHFFFAOYSA-N
SMILES:
[O-][n+]1c(c2ccccc2)n(c(c1c1ccccc1)c1ccccc1)O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.371g/mol
Monoisotopic Mass:
328.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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