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Home Carboxys 5-(4-Nitrophenyl)isoxazole-3-carboxylic acid

5-(4-Nitrophenyl)isoxazole-3-carboxylic acid

CAS No.:
33282-25-6
Catalog Number:
AG003M6C
Molecular Formula:
C10H6N2O5
Molecular Weight:
234.1650
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$63
- +
1g
95%
In Stock USA
United States
$150
- +
5g
95%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG003M6C
Chemical Name:
5-(4-Nitrophenyl)isoxazole-3-carboxylic acid
CAS Number:
33282-25-6
Molecular Formula:
C10H6N2O5
Molecular Weight:
234.1650
MDL Number:
MFCD06199331
IUPAC Name:
5-(4-nitrophenyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C10H6N2O5/c13-10(14)8-5-9(17-11-8)6-1-3-7(4-2-6)12(15)16/h1-5H,(H,13,14)
InChI Key:
GBRSPKXOFRTAHS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1onc(c1)C(=O)O
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.028g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.167g/mol
Monoisotopic Mass:
234.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Efficient synthesis and utilization of phenyl-substituted heteroaromatic carboxylic acids as aryl diketo acid isosteres in the design of novel HIV-1 integrase inhibitors. Bioorganic & medicinal chemistry letters 20080815
Properties