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88039-08-1 | Imidazo[1,2-d]-1,2,4-oxadiazole, 7,7a-dihydro-3,5-diphenyl-
CAS No: 88039-08-1 Catalog No: AG004J6Q MDL No:
Product Description
Catalog Number:
AG004J6Q
Chemical Name:
Imidazo[1,2-d]-1,2,4-oxadiazole, 7,7a-dihydro-3,5-diphenyl-
CAS Number:
88039-08-1
Molecular Formula:
C16H13N3O
Molecular Weight:
263.2939
IUPAC Name:
3,5-diphenyl-7,7a-dihydroimidazo[1,2-d][1,2,4]oxadiazole
InChI:
InChI=1S/C16H13N3O/c1-3-7-12(8-4-1)14-11-17-16-19(14)15(18-20-16)13-9-5-2-6-10-13/h1-11,16-17H
InChI Key:
KILONRKGCQYRCS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=CNC2N1C(=NO2)c1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.3g/mol
Monoisotopic Mass:
263.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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