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878999-01-0 | 2H-Imidazole, 2-methoxy-2,4,5-triphenyl-, 1-oxide
CAS No: 878999-01-0 Catalog No: AG004E0G MDL No:
Product Description
Catalog Number:
AG004E0G
Chemical Name:
2H-Imidazole, 2-methoxy-2,4,5-triphenyl-, 1-oxide
CAS Number:
878999-01-0
Molecular Formula:
C22H18N2O2
Molecular Weight:
342.3905
IUPAC Name:
2-methoxy-1-oxido-2,4,5-triphenylimidazol-1-ium
InChI:
InChI=1S/C22H18N2O2/c1-26-22(19-15-9-4-10-16-19)23-20(17-11-5-2-6-12-17)21(24(22)25)18-13-7-3-8-14-18/h2-16H,1H3
InChI Key:
RBXLMTISAPOTCJ-UHFFFAOYSA-N
SMILES:
COC1(N=C(C(=[N+]1[O-])c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.398g/mol
Monoisotopic Mass:
342.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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