1-Methylcyclopropyl (4-Nitrophenyl) Carbonate - CAS 1046817-22-4
Catalog: |
BB001457 |
Product Name: |
1-Methylcyclopropyl (4-Nitrophenyl) Carbonate |
CAS: |
1046817-22-4 |
Synonyms: |
carbonic acid (1-methylcyclopropyl) (4-nitrophenyl) ester; (1-methylcyclopropyl) (4-nitrophenyl) carbonate |
IUPAC Name: | (1-methylcyclopropyl) (4-nitrophenyl) carbonate |
Description: | 1-Methylcyclopropyl (4-Nitrophenyl) Carbonate (CAS# 1046817-22-4 ) is a useful research chemical. |
Molecular Weight: | 237.21 |
Molecular Formula: | C11H11NO5 |
Canonical SMILES: | CC1(CC1)OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C11H11NO5/c1-11(6-7-11)17-10(13)16-9-4-2-8(3-5-9)12(14)15/h2-5H,6-7H2,1H3 |
InChI Key: | JHDOETPMTMBQTH-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 3.18590 |
Publication Number | Title | Priority Date |
WO-2020247736-A1 | Hepatitis c virus ns3/4a protease inhibitors | 20190607 |
TW-201936614-A | Compounds and compositions as inhibitors of endosomal TOLL-LIKE receptors | 20180226 |
JP-2019034932-A | Drugs containing an azole substituted pyridine compound as an active ingredient | 20170810 |
AU-2017323584-A1 | Compounds and compositions as inhibitors of endosomal toll-like receptors | 20160909 |
AU-2017323584-B2 | Compounds and compositions as inhibitors of endosomal toll-like receptors | 20160909 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.06372245 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.06372245 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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