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926210-62-0,MFCD09046468
Catalog No.:AA019XAL
926210-62-0 | 4-ethanesulfonamido-2-methylbenzene-1-sulfonyl chloride
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1g
95.0%
3 weeks  
$800.00
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Technical Information
Catalog Number:
AA019XAL
Chemical Name:
4-ethanesulfonamido-2-methylbenzene-1-sulfonyl chloride
CAS Number:
926210-62-0
Molecular Formula:
C9H12ClNO4S2
Molecular Weight:
297.7789
MDL Number:
MFCD09046468
IUPAC Name:
4-(ethylsulfonylamino)-2-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C9H12ClNO4S2/c1-3-16(12,13)11-8-4-5-9(7(2)6-8)17(10,14)15/h4-6,11H,3H2,1-2H3
InChI Key:
AVBCZUGVLMGKCL-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)Nc1ccc(c(c1)C)S(=O)(=O)Cl
Properties
Computed Properties
 
Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.99g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
297.768g/mol
Monoisotopic Mass:
296.99g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
4-ethanesulfonamido-2-methylbenzene-1-sulfonyl chloride 
926210-62-0 
EN300-54712 
AC1Q38DQ 
CTK6G4717 
AKOS000130463 
ZINC100509653 
NE40517 
BC6220950 
Literature
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