Home Carboxys 2-Benzofurancarboxylic acid, 7-nitro-, ethyl ester

2-Benzofurancarboxylic acid, 7-nitro-, ethyl ester

CAS No.:
110683-72-2
Catalog Number:
AG008TOV
Molecular Formula:
C11H9NO5
Molecular Weight:
235.1929
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Product Description
Catalog Number:
AG008TOV
Chemical Name:
2-Benzofurancarboxylic acid, 7-nitro-, ethyl ester
CAS Number:
110683-72-2
Molecular Formula:
C11H9NO5
Molecular Weight:
235.1929
MDL Number:
MFCD16294346
IUPAC Name:
ethyl 7-nitro-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C11H9NO5/c1-2-16-11(13)9-6-7-4-3-5-8(12(14)15)10(7)17-9/h3-6H,2H2,1H3
InChI Key:
DNLGXQWVQMTGSG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(o1)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.048g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.195g/mol
Monoisotopic Mass:
235.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties