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40554-51-6

40554-51-6 | 1H-Imidazo[4,5-e]-2,1,3-benzoxadiazole(9CI)

CAS No: 40554-51-6 Catalog No: AG00CX99 MDL No:

Product Description

Catalog Number:
AG00CX99
Chemical Name:
1H-Imidazo[4,5-e]-2,1,3-benzoxadiazole(9CI)
CAS Number:
40554-51-6
IUPAC Name:
3H-imidazo[4,5-e][2,1,3]benzoxadiazole
InChI:
InChI=1S/C7H4N4O/c1-2-5-7(11-12-10-5)6-4(1)8-3-9-6/h1-3,10H
InChI Key:
IXTVCJYQDRMINM-UHFFFAOYSA-N

Properties

Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.136g/mol
Monoisotopic Mass:
160.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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