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Home > Nitro Compounds > 75965-74-1
75965-74-1 | 2-Nitro-7-methoxynaphtho[2,1-b]furan
CAS No: 75965-74-1 Catalog No: AG005GYW MDL No:
Product Description
Catalog Number:
AG005GYW
Chemical Name:
2-Nitro-7-methoxynaphtho[2,1-b]furan
CAS Number:
75965-74-1
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
IUPAC Name:
7-methoxy-2-nitrobenzo[e][1]benzofuran
InChI:
InChI=1S/C13H9NO4/c1-17-9-3-4-10-8(6-9)2-5-12-11(10)7-13(18-12)14(15)16/h2-7H,1H3
InChI Key:
BRRIJZQYTOFDAF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-]
NSC Number:
329223
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Identification of small molecule regulators of the nuclear receptor HNF4alpha based on naphthofuran scaffolds. | Bioorganic & medicinal chemistry 20091001 |
| Genotoxicity of 2-nitro-7-methoxy-naphtho[2,1-b]furan (R7000): a case study with some considerations on nitrofurantoin and nifuroxazide. | Research in microbiology 20020901 |
| Comparison of kinetics of induction of DNA adducts and gene mutations by a nitrofuran compound, 7-methoxy-2-nitronaphtho[2,1-b]furan (R7000), in the caecum and small intestine of Big Blue mice. | Mutagenesis 20020701 |
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