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Home > Nitro Compounds > 89266-45-5
89266-45-5 | Benzofuran, 2-(5-nitro-2-furanyl)-
CAS No: 89266-45-5 Catalog No: AG0041Y6 MDL No:
Product Description
Catalog Number:
AG0041Y6
Chemical Name:
Benzofuran, 2-(5-nitro-2-furanyl)-
CAS Number:
89266-45-5
Molecular Formula:
C12H7NO4
Molecular Weight:
229.1883
IUPAC Name:
2-(5-nitrofuran-2-yl)-1-benzofuran
InChI:
InChI=1S/C12H7NO4/c14-13(15)12-6-5-10(17-12)11-7-8-3-1-2-4-9(8)16-11/h1-7H
InChI Key:
UEPRMDWRONRQLV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)c1cc2c(o1)cccc2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.038g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.191g/mol
Monoisotopic Mass:
229.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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