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Home > Nitro Compounds > 89266-48-8
89266-48-8 | Benzofuran, 2-[2-(5-nitro-2-thienyl)ethenyl]-
CAS No: 89266-48-8 Catalog No: AG0041Y4 MDL No:
Product Description
Catalog Number:
AG0041Y4
Chemical Name:
Benzofuran, 2-[2-(5-nitro-2-thienyl)ethenyl]-
CAS Number:
89266-48-8
Molecular Formula:
C14H9NO3S
Molecular Weight:
271.2912
IUPAC Name:
2-[2-(5-nitrothiophen-2-yl)ethenyl]-1-benzofuran
InChI:
InChI=1S/C14H9NO3S/c16-15(17)14-8-7-12(19-14)6-5-11-9-10-3-1-2-4-13(10)18-11/h1-9H
InChI Key:
RPKKJMUHEPITHX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(s1)C=Cc1cc2c(o1)cccc2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.29g/mol
Monoisotopic Mass:
271.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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