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Home > Nitro Compounds > 88521-68-0
88521-68-0 | Benzofuran, 3-ethyl-5-nitro-
CAS No: 88521-68-0 Catalog No: AG0048TC MDL No:
Product Description
Catalog Number:
AG0048TC
Chemical Name:
Benzofuran, 3-ethyl-5-nitro-
CAS Number:
88521-68-0
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
3-ethyl-5-nitro-1-benzofuran
InChI:
InChI=1S/C10H9NO3/c1-2-7-6-14-10-4-3-8(11(12)13)5-9(7)10/h3-6H,2H2,1H3
InChI Key:
IZLDDWHDXPQYAJ-UHFFFAOYSA-N
SMILES:
CCc1coc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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