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22821-75-6,MFCD04037969
Catalog No.:AA003I67
22821-75-6 | 3-(Methylsulfonyl)benzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$57.00   $40.00
- +
5g
98%
in stock  
$215.00   $150.00
- +
10g
98%
in stock  
$397.00   $278.00
- +
25g
98%
in stock  
$762.00   $534.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003I67
Chemical Name:
3-(Methylsulfonyl)benzonitrile
CAS Number:
22821-75-6
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD04037969
IUPAC Name:
3-methylsulfonylbenzonitrile
InChI:
InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,1H3
InChI Key:
VWPJXEYDYJQMBC-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
3-(Methylsulfonyl)benzonitrile 
22821-75-6 
3-Cyanophenyl methyl sulphone 
SCHEMBL410063 
3-(methylsulphonyl)benzonitrile 
Jsp004605 
CTK4F0271 
KS-00000ECW 
DTXSID10375539 
VWPJXEYDYJQMBC-UHFFFAOYSA-N 
ZINC154171 
ZX-AT006627 
3-methylsulfonylbenzonitrile 
3-(methylsulfonyl)benzenecarbonitrile 
7781AD 
FCH917835 
OR7994 
SBB089805 
AKOS006227778 
PS-6011 
TRA0073317 
ACM22821756 
AJ-13169 
3-methanesulfonylbenzonitrile 
AN-13517 
CJ-01326 
SC-27150 
SY003353 
ZB005688 
AB0061415 
AX8222817 
TR-010692 
FT-0638254 
ST24041629 
Benzonitrile,3-(methylsulfonyl)- 
Y-8931 
MFCD04037969 (97+%) 
C8H7NO2S 
ZINC00154171 
CID2761091 
4,6-Dimethoxy-2-piperidin-4-ylpyrimidine 
176225-10-8 
Benzonitrile, 3-(methylsulfonyl)- 
MFCD04037969 
AC1Q4GGU 
m-methylsulfonylbenzonitrile 
AC1MC45Q 
Literature
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