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Home > Imidazoles > 105625-74-9
105625-74-9 | 1H-Imidazo[4,5-c]isoxazole, 3,3a-dihydro-3,5-diphenyl-
CAS No: 105625-74-9 Catalog No: AG007E12 MDL No:
Product Description
Catalog Number:
AG007E12
Chemical Name:
1H-Imidazo[4,5-c]isoxazole, 3,3a-dihydro-3,5-diphenyl-
CAS Number:
105625-74-9
Molecular Formula:
C16H13N3O
Molecular Weight:
263.2939
IUPAC Name:
3,5-diphenyl-3,3a-dihydro-1H-imidazo[4,5-c][1,2]oxazole
InChI:
InChI=1S/C16H13N3O/c1-3-7-11(8-4-1)14-13-16(19-20-14)18-15(17-13)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18,19)
InChI Key:
QTWWMKKIPRUELX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1ONC2=NC(=NC12)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:
2
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:
46A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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