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Home Nitros 3,5-Dimethyl-4-nitroisoxazole

3,5-Dimethyl-4-nitroisoxazole

CAS No.:
1123-49-5
Catalog Number:
AG0082RU
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$36
- +
5g
95%
In Stock USA
United States
$65
- +
25g
95%
In Stock USA
United States
$158
- +
Product Description
Catalog Number:
AG0082RU
Chemical Name:
3,5-Dimethyl-4-nitroisoxazole
CAS Number:
1123-49-5
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
MDL Number:
MFCD00051656
IUPAC Name:
3,5-dimethyl-4-nitro-1,2-oxazole
InChI:
InChI=1S/C5H6N2O3/c1-3-5(7(8)9)4(2)10-6-3/h1-2H3
InChI Key:
PMQFLWLYAXYFHG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)noc1C
NSC Number:
93420
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Design, synthesis, in vitro antimicrobial and anticancer activity of novel methylenebis-isoxazolo[4,5-b]azepines derivatives. European journal of medicinal chemistry 20120401
Synthesis and in vitro and in vivo anticancer activity of novel phenylmethylene bis-isoxazolo[4,5-b]azepines. Bioorganic & medicinal chemistry letters 20120101
Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds. Journal of medicinal chemistry 19990826
Properties