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89266-67-1 | Benzofuran, 5-chloro-2-[(5-nitro-2-furanyl)oxy]-
CAS No: 89266-67-1 Catalog No: AG0041G7 MDL No:
Product Description
Catalog Number:
AG0041G7
Chemical Name:
Benzofuran, 5-chloro-2-[(5-nitro-2-furanyl)oxy]-
CAS Number:
89266-67-1
Molecular Formula:
C12H6ClNO5
Molecular Weight:
279.6327
IUPAC Name:
5-chloro-2-(5-nitrofuran-2-yl)oxy-1-benzofuran
InChI:
InChI=1S/C12H6ClNO5/c13-8-1-2-9-7(5-8)6-12(17-9)19-11-4-3-10(18-11)14(15)16/h1-6H
InChI Key:
YLHKDUSYKSKQRF-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)cc(o2)Oc1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.993g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.632g/mol
Monoisotopic Mass:
278.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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