Home Nitro Compounds 56825-29-7
56825-29-7,MFCD16140367
Catalog No.:AA00EDRA
56825-29-7 | 2-(Methylsulfonyl)-3-nitropyridine
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Purity
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Price(USD)
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250mg
98%
in stock  
$150.00
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1g
98%
in stock  
$356.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA00EDRA
Chemical Name:
2-(Methylsulfonyl)-3-nitropyridine
CAS Number:
56825-29-7
Molecular Formula:
C6H6N2O4S
Molecular Weight:
202.1878
MDL Number:
MFCD16140367
IUPAC Name:
2-methylsulfonyl-3-nitropyridine
InChI:
InChI=1S/C6H6N2O4S/c1-13(11,12)6-5(8(9)10)3-2-4-7-6/h2-4H,1H3
InChI Key:
STJMXSFTAWNECC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.005g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.184g/mol
Monoisotopic Mass:
202.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Synonyms
 
2-(methylsulfonyl)-3-nitropyridine 
56825-29-7 
AKOS005072295 
CE-0737 
FCH1324997 
RP11800 
KS-000023R8 
CJ-20397 
OR303635 
SY237457 
AJ-108947 
TR-037118 
2-methanesulfonyl-3-nitropyridine 
CS-0081762 
FT-0681866 
V6672 
MFCD16140367 (95%) 
J-506472 
C6H6N2O4S 
CTK5A5750 
DTXSID80481671 
ZX-RL002867 
KM0033 
MFCD16140367 
SBB092905 
ZINC43827962 
Literature
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