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29269-80-5 | 1H-Imidazo[1,2-b][1,2,4]triazole, 5-methyl-2-phenyl-
CAS No: 29269-80-5 Catalog No: AG002XWQ MDL No:
Product Description
Catalog Number:
AG002XWQ
Chemical Name:
1H-Imidazo[1,2-b][1,2,4]triazole, 5-methyl-2-phenyl-
CAS Number:
29269-80-5
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
IUPAC Name:
5-methyl-2-phenyl-1H-imidazo[1,2-b][1,2,4]triazole
InChI:
InChI=1S/C11H10N4/c1-8-7-15-11(12-8)13-10(14-15)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)
InChI Key:
NSTUHHLPWMRUSZ-UHFFFAOYSA-N
SMILES:
Cc1cn2c(n1)nc([nH]2)c1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.229g/mol
Monoisotopic Mass:
198.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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