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10216-12-3,MFCD10485859
Catalog No.:AA0006PE
10216-12-3 | 5-(Chlorosulfonyl)thiophene-2-carboxylic acid
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Purity
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Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$543.00   $380.00
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Technical Information
Catalog Number:
AA0006PE
Chemical Name:
5-(Chlorosulfonyl)thiophene-2-carboxylic acid
CAS Number:
10216-12-3
Molecular Formula:
C5H3ClO4S2
Molecular Weight:
226.6579
MDL Number:
MFCD10485859
IUPAC Name:
5-chlorosulfonylthiophene-2-carboxylic acid
InChI:
InChI=1S/C5H3ClO4S2/c6-12(9,10)4-2-1-3(11-4)5(7)8/h1-2H,(H,7,8)
InChI Key:
FWVXNSQOBHTXGV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)S(=O)(=O)Cl
Properties
Computed Properties
 
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.916g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.645g/mol
Monoisotopic Mass:
225.916g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
10216-12-3 
5-(chlorosulfonyl)thiophene-2-carboxylic acid 
5-(Chlorosulfonyl)-2-thiophenecarboxylic acid 
5-chlorosulfonyl-thiophene-2-carboxylic acid 
2-Thiophenecarboxylic acid, 5-(chlorosulfonyl)- 
SCHEMBL16237287 
CTK0G7764 
DTXSID20507445 
AKOS006336257 
ZINC100652140 
NE57398 
Literature
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