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821009-87-4

821009-87-4 | Propanedinitrile, tetrazolo[1,5-a]quinoxalin-4(5H)-ylidene-

CAS No: 821009-87-4 Catalog No: AG0051IY MDL No:

Product Description

Catalog Number:
AG0051IY
Chemical Name:
Propanedinitrile, tetrazolo[1,5-a]quinoxalin-4(5H)-ylidene-
CAS Number:
821009-87-4
Molecular Formula:
C11H5N7
Molecular Weight:
235.2043
IUPAC Name:
2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)propanedinitrile
InChI:
InChI=1S/C11H5N7/c12-5-7(6-13)10-11-15-16-17-18(11)9-4-2-1-3-8(9)14-10/h1-4,14H
InChI Key:
MPBQUJBAFRBPGW-UHFFFAOYSA-N
SMILES:
N#CC(=c1[nH]c2ccccc2n2c1nnn2)C#N

Properties

Complexity:
460  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.061g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.21g/mol
Monoisotopic Mass:
235.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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