Home Carboxys Ethyl 5-nitro-1-benzothiophene-2-carboxylate

Ethyl 5-nitro-1-benzothiophene-2-carboxylate

CAS No.:
25785-09-5
Catalog Number:
AG00BDUC
Molecular Formula:
C11H9NO4S
Molecular Weight:
251.2585
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00BDUC
Chemical Name:
Ethyl 5-nitro-1-benzothiophene-2-carboxylate
CAS Number:
25785-09-5
Molecular Formula:
C11H9NO4S
Molecular Weight:
251.2585
MDL Number:
MFCD03791163
IUPAC Name:
ethyl 5-nitro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C11H9NO4S/c1-2-16-11(13)10-6-7-5-8(12(14)15)3-4-9(7)17-10/h3-6H,2H2,1H3
InChI Key:
DFGBQJHVCMFVID-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.025g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.256g/mol
Monoisotopic Mass:
251.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties