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Home Nitros 2-Methyl-5-nitro-1H-1,3-benzodiazole

2-Methyl-5-nitro-1H-1,3-benzodiazole

CAS No.:
1792-40-1
Catalog Number:
AG0026V7
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$138
- +
10g
98%
In Stock USA
United States
$238
- +
25g
98%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG0026V7
Chemical Name:
2-Methyl-5-nitro-1H-1,3-benzodiazole
CAS Number:
1792-40-1
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD00005599
IUPAC Name:
2-methyl-6-nitro-1H-benzimidazole
InChI:
InChI=1S/C8H7N3O2/c1-5-9-7-3-2-6(11(12)13)4-8(7)10-5/h2-4H,1H3,(H,9,10)
InChI Key:
RKRXTVLCZDPERO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)C
EC Number:
217-259-2
UNII:
VDP9EXS9EW
NSC Number:
38853
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
2-Methyl-5-nitro-1H-benzimidazole monohydrate. Acta crystallographica. Section E, Structure reports online 20110601
2-Methyl-5,6-dinitro-benzimidazolium chloride. Acta crystallographica. Section E, Structure reports online 20110401
Synthesis and inhibitory activity of new benzimidazole derivatives against Burkitt's lymphoma promotion. Bioorganic & medicinal chemistry 20071001
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties