sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 5-Nitro-1-benzothiophene-2-carboxylic acid

5-Nitro-1-benzothiophene-2-carboxylic acid

CAS No.:
6345-55-7
Catalog Number:
AG00E9TH
Molecular Formula:
C9H5NO4S
Molecular Weight:
223.2053
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$244
- +
10g
96%
In Stock USA
United States
$407
- +
25g
96%
In Stock USA
United States
$875
- +
Product Description
Catalog Number:
AG00E9TH
Chemical Name:
5-Nitro-1-benzothiophene-2-carboxylic acid
CAS Number:
6345-55-7
Molecular Formula:
C9H5NO4S
Molecular Weight:
223.2053
MDL Number:
MFCD01159700
IUPAC Name:
5-nitro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H5NO4S/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)
InChI Key:
ZGSMHACHDULBBY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-]
NSC Number:
43557
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.994g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.202g/mol
Monoisotopic Mass:
222.994g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Synthesis and pharmacological evaluation of 2-substituted benzo[b]thiophenes as anti-inflammatory and analgesic agents. European journal of medicinal chemistry 20090401
Properties