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104406-62-4 | 4H-Imidazole, 4,4-dimethyl-2,5-diphenyl-, 1,3-dioxide
CAS No: 104406-62-4 Catalog No: AG00860V MDL No:
Product Description
Catalog Number:
AG00860V
Chemical Name:
4H-Imidazole, 4,4-dimethyl-2,5-diphenyl-, 1,3-dioxide
CAS Number:
104406-62-4
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
4,4-dimethyl-1,3-dioxido-2,5-diphenylimidazole-1,3-diium
InChI:
InChI=1S/C17H16N2O2/c1-17(2)15(13-9-5-3-6-10-13)18(20)16(19(17)21)14-11-7-4-8-12-14/h3-12H,1-2H3
InChI Key:
PQPKGPKFUNMTMX-UHFFFAOYSA-N
SMILES:
[O-][N+]1=C(c2ccccc2)C([N+](=C1c1ccccc1)[O-])(C)C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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