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Home > Imidazoles > 64981-09-5
64981-09-5 | 1H-Imidazo[1,2-b][1,2,4]triazole, 5-(4-nitrophenyl)-2-phenyl-
CAS No: 64981-09-5 Catalog No: AG00H6PC MDL No:
Product Description
Catalog Number:
AG00H6PC
Chemical Name:
1H-Imidazo[1,2-b][1,2,4]triazole, 5-(4-nitrophenyl)-2-phenyl-
CAS Number:
64981-09-5
Molecular Formula:
C16H11N5O2
Molecular Weight:
305.2908
IUPAC Name:
5-(4-nitrophenyl)-2-phenyl-1H-imidazo[1,2-b][1,2,4]triazole
InChI:
InChI=1S/C16H11N5O2/c22-21(23)13-8-6-11(7-9-13)14-10-20-16(17-14)18-15(19-20)12-4-2-1-3-5-12/h1-10H,(H,17,18,19)
InChI Key:
JKJNSBHBUBUWPV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nc2n(c1)[nH]c(n2)c1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.297g/mol
Monoisotopic Mass:
305.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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