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19995-46-1,MFCD00023007
Catalog No.:AA002CEN

19995-46-1 | 4-Nitrobenzo[b]thiophene-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
96%
in stock  
$304.00   $213.00
- +
250mg
96%
in stock  
$400.00   $280.00
- +
1g
96%
in stock  
$789.00   $552.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002CEN
Chemical Name:
4-Nitrobenzo[b]thiophene-2-carboxylic acid
CAS Number:
19995-46-1
Molecular Formula:
C9H5NO4S
Molecular Weight:
223.2053
MDL Number:
MFCD00023007
SMILES:
[O-][N+](=O)c1cccc2c1cc(s2)C(=O)O
Properties
Computed Properties
 
Complexity:
290  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,2019,vol.174,p.236-251

Literature
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SDS
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Tags:19995-46-1 Molecular Formula|19995-46-1 MDL|19995-46-1 SMILES|19995-46-1 4-Nitrobenzo[b]thiophene-2-carboxylic acid
Catalog No.: AA002CEN
19995-46-1,MFCD00023007
19995-46-1 | 4-Nitrobenzo[b]thiophene-2-carboxylic acid
Pack Size： 100mg
Purity： 96%
in stock
$304.00 $213.00
Pack Size： 250mg
Purity： 96%
in stock
$400.00 $280.00
Pack Size： 1g
Purity： 96%
in stock
$789.00 $552.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002CEN
Chemical Name: 4-Nitrobenzo[b]thiophene-2-carboxylic acid
CAS Number: 19995-46-1
Molecular Formula: C9H5NO4S
Molecular Weight: 223.2053
MDL Number: MFCD00023007
SMILES: [O-][N+](=O)c1cccc2c1cc(s2)C(=O)O
Properties
Complexity: 290  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
1644-82-2    19995-46-1 

[1]EuropeanJournalofMedicinalChemistry,2019,vol.174,p.236-251

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