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29017-08-1 | 1H-Imidazo[1,2-b][1,2,4]triazole, 2,5-diphenyl-
CAS No: 29017-08-1 Catalog No: AG002V7V MDL No:
Product Description
Catalog Number:
AG002V7V
Chemical Name:
1H-Imidazo[1,2-b][1,2,4]triazole, 2,5-diphenyl-
CAS Number:
29017-08-1
Molecular Formula:
C16H12N4
Molecular Weight:
260.2933
IUPAC Name:
2,5-diphenyl-1H-imidazo[1,2-b][1,2,4]triazole
InChI:
InChI=1S/C16H12N4/c1-3-7-12(8-4-1)14-11-20-16(17-14)18-15(19-20)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChI Key:
LDUGCBUALSBEGP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cn2c(n1)nc([nH]2)c1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.3g/mol
Monoisotopic Mass:
260.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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