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117737-43-6,MFCD02975878
Catalog No.:AA008T2F

117737-43-6 | 2-((2-Nitrophenyl)sulfinyl)acetic acid

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Purity
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Price(USD)
Quantity
  
1g
95%
in stock  
$40.00   $28.00
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  • Technical Information
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Technical Information
Catalog Number:
AA008T2F
Chemical Name:
2-((2-Nitrophenyl)sulfinyl)acetic acid
CAS Number:
117737-43-6
Molecular Formula:
C8H7NO5S
Molecular Weight:
229.2099
MDL Number:
MFCD02975878
SMILES:
OC(=O)CS(=O)c1ccccc1[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
287  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.6  

Literature

Title: 1-Methyl-sulfon-yl-4-nitro-benzene.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

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