Diethyl 3-Nitrobenzylphosphonate - CAS 104097-04-3
Catalog: |
BB001329 |
Product Name: |
Diethyl 3-Nitrobenzylphosphonate |
CAS: |
104097-04-3 |
Synonyms: |
1-(diethoxyphosphorylmethyl)-3-nitrobenzene; 1-(diethoxyphosphorylmethyl)-3-nitrobenzene |
IUPAC Name: | 1-(diethoxyphosphorylmethyl)-3-nitrobenzene |
Description: | Diethyl 3-Nitrobenzylphosphonate (CAS# 104097-04-3 ) is a useful research chemical. |
Molecular Weight: | 273.22 |
Molecular Formula: | C11H16NO5P |
Canonical SMILES: | CCOP(=O)(CC1=CC(=CC=C1)[N+](=O)[O-])OCC |
InChI: | InChI=1S/C11H16NO5P/c1-3-16-18(15,17-4-2)9-10-6-5-7-11(8-10)12(13)14/h5-8H,3-4,9H2,1-2H3 |
InChI Key: | QNHAEKQJZUMZFT-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 3.88410 |
Publication Number | Title | Priority Date |
CN-107501169-A | A kind of trans diarylethene LSD1 inhibitor, its preparation method and application | 20170825 |
CN-107501169-B | Trans-diarylethene LSD1 inhibitor, preparation method and application thereof | 20170825 |
EP-3189059-A2 | Thienopyrroles as histone demethylase inhibitors | 20140905 |
US-10183952-B2 | Thienopyrroles as histone demethylase inhibitors | 20140905 |
US-2017260197-A1 | Thienopyrroles as histone demethylase inhibitors | 20140905 |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.07660961 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.07660961 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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