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Home > Nitro Compounds > 83767-16-2

83767-16-2

83767-16-2 | Ethanone, 1-(7-methoxy-4-nitro-2-benzofuranyl)-

CAS No: 83767-16-2 Catalog No: AG004X0K MDL No:

Product Description

Catalog Number:
AG004X0K
Chemical Name:
Ethanone, 1-(7-methoxy-4-nitro-2-benzofuranyl)-
CAS Number:
83767-16-2
Molecular Formula:
C11H9NO5
Molecular Weight:
235.1929
IUPAC Name:
1-(7-methoxy-4-nitro-1-benzofuran-2-yl)ethanone
InChI:
InChI=1S/C11H9NO5/c1-6(13)10-5-7-8(12(14)15)3-4-9(16-2)11(7)17-10/h3-5H,1-2H3
InChI Key:
AVPIFKNKZZATNU-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1oc(c2)C(=O)C)[N+](=O)[O-]

Properties

Complexity:
326  
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:
2  
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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