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959977-76-5 | 1,2,4-TRIAZOLO[4,3-A]PYRIDINE, 6-(2,4-DIIODO-5-OXAZOLYL)-3-(1,1-DIMETHYLETHYL)-
CAS No: 959977-76-5 Catalog No: AG006TQR MDL No:
Product Description
Catalog Number:
AG006TQR
Chemical Name:
1,2,4-TRIAZOLO[4,3-A]PYRIDINE, 6-(2,4-DIIODO-5-OXAZOLYL)-3-(1,1-DIMETHYLETHYL)-
CAS Number:
959977-76-5
Molecular Formula:
C13H12I2N4O
Molecular Weight:
494.0695
IUPAC Name:
5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2,4-diiodo-1,3-oxazole
InChI:
InChI=1S/C13H12I2N4O/c1-13(2,3)11-18-17-8-5-4-7(6-19(8)11)9-10(14)16-12(15)20-9/h4-6H,1-3H3
InChI Key:
DFXKKXYWVJTSKE-UHFFFAOYSA-N
SMILES:
Ic1nc(c(o1)c1ccc2n(c1)c(nn2)C(C)(C)C)I
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.91g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
494.075g/mol
Monoisotopic Mass:
493.91g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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