5-(4-Chlorophenyl)Isoxazole-3-carboxylic Acid
  -molcms-05262600562D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.0181   -1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9135   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7226    0.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6361   -0.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9316   -1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6542   -1.6269    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092    0.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024    1.0827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079    0.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5873   -0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963   -0.9898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2564    0.7044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <ProductName>
5-(4-Chlorophenyl)Isoxazole-3-carboxylic Acid

>  <CASNumber>
33282-22-3

>  <MolecularFormula>
C10H6CLNO3

>  <MDLNo>
MFCD06010034

>  <MolWt>
223.61

>  <BoilingPoint>
457.3��Cat760mmHg

>  <MeltingPoint>
200.0?��C (dec.) (lit.)

>  <MolFile>


>  <Smiles>
C1=C(C=CC(=C1)Cl)C2=CC(=NO2)C(=O)O

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