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38870-61-0 | 4H-Imidazole, 4,4-dimethyl-2,5-diphenyl-, 1-oxide
CAS No: 38870-61-0 Catalog No: AG0077LS MDL No:
Product Description
Catalog Number:
AG0077LS
Chemical Name:
4H-Imidazole, 4,4-dimethyl-2,5-diphenyl-, 1-oxide
CAS Number:
38870-61-0
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
IUPAC Name:
4,4-dimethyl-1-oxido-2,5-diphenylimidazol-1-ium
InChI:
InChI=1S/C17H16N2O/c1-17(2)15(13-9-5-3-6-10-13)19(20)16(18-17)14-11-7-4-8-12-14/h3-12H,1-2H3
InChI Key:
KSFQCASCCYHGRI-UHFFFAOYSA-N
SMILES:
[O-][N+]1=C(c2ccccc2)C(N=C1c1ccccc1)(C)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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