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Home > Imidazoles > 1729-09-5
1729-09-5 | Hydroperoxide, 2,4,5-triphenyl-4H-imidazol-4-yl
CAS No: 1729-09-5 Catalog No: AG007VNC MDL No:
Product Description
Catalog Number:
AG007VNC
Chemical Name:
Hydroperoxide, 2,4,5-triphenyl-4H-imidazol-4-yl
CAS Number:
1729-09-5
Molecular Formula:
C21H16N2O2
Molecular Weight:
328.3639
IUPAC Name:
4-hydroperoxy-2,4,5-triphenylimidazole
InChI:
InChI=1S/C21H16N2O2/c24-25-21(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)22-20(23-21)17-12-6-2-7-13-17/h1-15,24H
InChI Key:
OMYGAPPRUMNOIK-UHFFFAOYSA-N
SMILES:
OOC1(N=C(N=C1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
512
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.371g/mol
Monoisotopic Mass:
328.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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