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100541-43-3 | 1,3,4-Oxadiazole, 2,5-bis(4-iodophenyl)-
CAS No: 100541-43-3 Catalog No: AG0002A8 MDL No:
Product Description
Catalog Number:
AG0002A8
Chemical Name:
1,3,4-Oxadiazole, 2,5-bis(4-iodophenyl)-
CAS Number:
100541-43-3
Molecular Formula:
C14H8I2N2O
Molecular Weight:
474.0351
IUPAC Name:
2,5-bis(4-iodophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C14H8I2N2O/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H
InChI Key:
QXYNLIOPIBISNC-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1nnc(o1)c1ccc(cc1)I
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.873g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
474.04g/mol
Monoisotopic Mass:
473.873g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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