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85823-41-2 | 1,2,5-Oxadiazole, 3,4-bis(diphenylmethyl)-, 2-oxide
CAS No: 85823-41-2 Catalog No: AG004RBP MDL No:
Product Description
Catalog Number:
AG004RBP
Chemical Name:
1,2,5-Oxadiazole, 3,4-bis(diphenylmethyl)-, 2-oxide
CAS Number:
85823-41-2
Molecular Formula:
C28H22N2O2
Molecular Weight:
418.4865
IUPAC Name:
3,4-dibenzhydryl-2-oxido-1,2,5-oxadiazol-2-ium
InChI:
InChI=1S/C28H22N2O2/c31-30-28(26(23-17-9-3-10-18-23)24-19-11-4-12-20-24)27(29-32-30)25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,25-26H
InChI Key:
YOFLPWXJHUSMCS-UHFFFAOYSA-N
SMILES:
[O-][n+]1onc(c1C(c1ccccc1)c1ccccc1)C(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:
418.168g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.496g/mol
Monoisotopic Mass:
418.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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