Home Imidazoles 1256486-30-2
1256486-30-2,MFCD28166152
Catalog No.:AA01FC6N
1256486-30-2 | 4-(7-Aza-2-benzimidazolyl)benzamidoxime
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100mg
97%
1 week  
$90.00
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Technical Information
Catalog Number:
AA01FC6N
Chemical Name:
4-(7-Aza-2-benzimidazolyl)benzamidoxime
CAS Number:
1256486-30-2
Molecular Formula:
C13H11N5O
Molecular Weight:
253.2593
MDL Number:
MFCD28166152
IUPAC Name:
N'-hydroxy-4-(1H-imidazo[4,5-b]pyridin-2-yl)benzenecarboximidamide
InChI:
InChI=1S/C13H11N5O/c14-11(18-19)8-3-5-9(6-4-8)12-16-10-2-1-7-15-13(10)17-12/h1-7,19H,(H2,14,18)(H,15,16,17)
InChI Key:
SZBLSFWAWGHSLK-UHFFFAOYSA-N
SMILES:
O/N=C(/c1ccc(cc1)c1nc2c([nH]1)nccc2)\N
Properties
Computed Properties
 
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
253.096g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
253.265g/mol
Monoisotopic Mass:
253.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
4-(7-Aza-2-benzimidazolyl)benzamidoxime 
1256486-30-2 
MFCD16658857 
N-hydroxy-4-(3h-imidazo[4,5-b]pyridin-2-yl)benzenecarboximidamide 
Literature
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