8-phenyl-1,5,7,9-te...

8-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene(CAS No. 55643-77-1)

8-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene(CAS No. 55643-77-1)

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8-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene 55643-77-1 98%

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  • Appearance:Solid
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Details:

【Name】
8-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene
【Iupac name】
2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
【CAS Registry number】
55643-77-1
【Synonyms】
8-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene
【Molecular Formula】
C11H8N4 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C11H8N4/c1-2-5-9(6-3-1)10-13-11-12-7-4-8-15(11)14-10/h1-8H
【Canonical SMILES】
C1=CC=C(C=C1)C2=NN3C=CC=NC3=N2
【MOL File】
55643-77-1.mol
Chemical and Physical Properties
【Density】
1.31g/cm3
【Refractive Index】
1.717
【Computed Properties】
Molecular Weight:196.20802 [g/mol]
Molecular Formula:C11H8N4
XLogP3-AA:1.8
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:1
Exact Mass:196.074896
MonoIsotopic Mass:196.074896
Topological Polar Surface Area:43.1
Heavy Atom Count:15
Formal Charge:0
Complexity:215
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

 

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