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89266-68-2 | Methanone, (5,7-dibromo-2-benzofuranyl)(5-nitro-2-furanyl)-
CAS No: 89266-68-2 Catalog No: AG0041Y3 MDL No:
Product Description
Catalog Number:
AG0041Y3
Chemical Name:
Methanone, (5,7-dibromo-2-benzofuranyl)(5-nitro-2-furanyl)-
CAS Number:
89266-68-2
Molecular Formula:
C13H5Br2NO5
Molecular Weight:
414.9905
IUPAC Name:
(5,7-dibromo-1-benzofuran-2-yl)-(5-nitrofuran-2-yl)methanone
InChI:
InChI=1S/C13H5Br2NO5/c14-7-3-6-4-10(21-13(6)8(15)5-7)12(17)9-1-2-11(20-9)16(18)19/h1-5H
InChI Key:
RWVKBTZCAVURAO-UHFFFAOYSA-N
SMILES:
Brc1cc2cc(oc2c(c1)Br)C(=O)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.851g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.993g/mol
Monoisotopic Mass:
412.853g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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