1-Fluoro-5-methoxy-2,4-dinitrobenzene - CAS 394-18-3
Catalog: |
BB023968 |
Product Name: |
1-Fluoro-5-methoxy-2,4-dinitrobenzene |
CAS: |
394-18-3 |
Synonyms: |
1-fluoro-5-methoxy-2,4-dinitrobenzene; 1-fluoro-5-methoxy-2,4-dinitrobenzene |
IUPAC Name: | 1-fluoro-5-methoxy-2,4-dinitrobenzene |
Description: | 1-Fluoro-5-methoxy-2,4-dinitrobenzene (CAS# 394-18-3) is used in the preparation of β-cyclodextrin derivatives that block the pore formed by protective antigen for the inhibition of the action of anthrax toxin. |
Molecular Weight: | 216.12 |
Molecular Formula: | C7H5FN2O5 |
Canonical SMILES: | COC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F |
InChI: | InChI=1S/C7H5FN2O5/c1-15-7-2-4(8)5(9(11)12)3-6(7)10(13)14/h2-3H,1H3 |
InChI Key: | BKYHMDNLFGUECN-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CN-112341346-A | Synthetic method of oxitinib intermediate | 20201030 |
US-2012238518-A1 | Diazeniumdiolated compounds, pharmaceutical compositions, and method of treating cancer | 20091113 |
US-9205091-B2 | Diazeniumdiolated compounds, pharmaceutical compositions, and method of treating cancer | 20091113 |
WO-2011060215-A1 | Diazeniumdiolated compounds, pharmaceutical compositions, and method of treating cancer | 20091113 |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.01824943 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.01824943 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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