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190076-45-0 | 1H-Imidazole, 2,5-dihydro-1-(4-methoxyphenyl)-4-phenyl-, 3-oxide
CAS No: 190076-45-0 Catalog No: AG002EBD MDL No:
Product Description
Catalog Number:
AG002EBD
Chemical Name:
1H-Imidazole, 2,5-dihydro-1-(4-methoxyphenyl)-4-phenyl-, 3-oxide
CAS Number:
190076-45-0
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
3-(4-methoxyphenyl)-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium
InChI:
InChI=1S/C16H16N2O2/c1-20-15-9-7-14(8-10-15)17-11-16(18(19)12-17)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChI Key:
YZYAJEVEWSZXLH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1C[N+](=C(C1)c1ccccc1)[O-]
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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