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Home > Nitro Compounds > 86539-67-5
86539-67-5 | NAPHTHO(2,1-b)FURAN, 1-METHYL-2-NITRO-
CAS No: 86539-67-5 Catalog No: AG004V4A MDL No:
Product Description
Catalog Number:
AG004V4A
Chemical Name:
NAPHTHO(2,1-b)FURAN, 1-METHYL-2-NITRO-
CAS Number:
86539-67-5
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
IUPAC Name:
1-methyl-2-nitrobenzo[e][1]benzofuran
InChI:
InChI=1S/C13H9NO3/c1-8-12-10-5-3-2-4-9(10)6-7-11(12)17-13(8)14(15)16/h2-7H,1H3
InChI Key:
CVUUOLKFENQCEZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1oc2c(c1C)c1ccccc1cc2
NSC Number:
373980
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Identification of small molecule regulators of the nuclear receptor HNF4alpha based on naphthofuran scaffolds. | Bioorganic & medicinal chemistry 20091001 |
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