2,5-Dinitroanisole - CAS 3962-77-4
Catalog: |
BB024061 |
Product Name: |
2,5-Dinitroanisole |
CAS: |
3962-77-4 |
Synonyms: |
2-methoxy-1,4-dinitrobenzene; 2-methoxy-1,4-dinitrobenzene |
IUPAC Name: | 2-methoxy-1,4-dinitrobenzene |
Description: | 2,5-Dinitroanisole (CAS# 3962-77-4) is a useful research chemical. |
Molecular Weight: | 198.13 |
Molecular Formula: | C7H6N2O5 |
Canonical SMILES: | COC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C7H6N2O5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3 |
InChI Key: | MUBJXSCTPOBLCX-UHFFFAOYSA-N |
Boiling Point: | 363.4 °C at 760 mmHg |
Density: | 1.444 g/cm3 |
LogP: | 2.55800 |
Publication Number | Title | Priority Date |
US-2020397807-A1 | Nicotinyl riboside compounds and their uses | 20190618 |
WO-2020257283-A1 | Nicotinyl riboside compounds and their uses | 20190618 |
US-2017252347-A1 | DNP and DNP Prodrug Treatment of Neuromuscular, Neurodegenerative, Autoimmune, Developmental, Traumatic Brain Injury, Concussion, Dry Eye Disease, Hearing Loss and/or Metabolic Diseases | 20160307 |
TW-200938535-A | Modulators for amyloid beta | 20080222 |
BE-1005565-A7 | Energetic materials. | 19860704 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0276713 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0276713 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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