Home Carboxys Ethyl 3-methyl-5-nitrobenzo[b]thiophene-2-carboxylate

Ethyl 3-methyl-5-nitrobenzo[b]thiophene-2-carboxylate

CAS No.:
17514-60-2
Catalog Number:
AG0020CQ
Molecular Formula:
C12H11NO4S
Molecular Weight:
265.2850
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$191
- +
1g
1 week
United States
$496
- +
Product Description
Catalog Number:
AG0020CQ
Chemical Name:
Ethyl 3-methyl-5-nitrobenzo[b]thiophene-2-carboxylate
CAS Number:
17514-60-2
Molecular Formula:
C12H11NO4S
Molecular Weight:
265.2850
MDL Number:
MFCD00830007
IUPAC Name:
ethyl 3-methyl-5-nitro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C12H11NO4S/c1-3-17-12(14)11-7(2)9-6-8(13(15)16)4-5-10(9)18-11/h4-6H,3H2,1-2H3
InChI Key:
ZLSYFCRPOHWMHJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc2c(c1C)cc(cc2)[N+](=O)[O-]
NSC Number:
108928
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.041g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.283g/mol
Monoisotopic Mass:
265.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties