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32494-23-8

32494-23-8 | 3,7-diphenyl-1,3,5,7-tetrazabicyclo[3.3.0]octane-2,4,6,8-tetrone

CAS No: 32494-23-8 Catalog No: AG007FN0 MDL No:

Product Description

Catalog Number:
AG007FN0
Chemical Name:
3,7-diphenyl-1,3,5,7-tetrazabicyclo[3.3.0]octane-2,4,6,8-tetrone
CAS Number:
32494-23-8
Molecular Formula:
C16H10N4O4
Molecular Weight:
322.2750
IUPAC Name:
2,6-diphenyl-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5,7-tetrone
InChI:
InChI=1S/C16H10N4O4/c21-13-17(11-7-3-1-4-8-11)14(22)20-16(24)18(15(23)19(13)20)12-9-5-2-6-10-12/h1-10H
InChI Key:
JUNJLWPWKDPNEW-UHFFFAOYSA-N
SMILES:
O=c1n(c2ccccc2)c(=O)n2n1c(=O)n(c2=O)c1ccccc1
UNII:
DK6J463V3X
NSC Number:
294758

Properties

Complexity:
511  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.07g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.28g/mol
Monoisotopic Mass:
322.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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