1-Nitrotriphenylene - CAS 81316-78-1
Catalog: |
BB036645 |
Product Name: |
1-Nitrotriphenylene |
CAS: |
81316-78-1 |
Synonyms: |
1-nitrotriphenylene; 1-nitrotriphenylene |
IUPAC Name: | 1-nitrotriphenylene |
Description: | 1-Nitrotriphenylene (CAS# 81316-78-1 ) is a useful research chemical. |
Molecular Weight: | 273.29 |
Molecular Formula: | C18H11NO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C3=C(C4=CC=CC=C24)C(=CC=C3)[N+](=O)[O-] |
InChI: | InChI=1S/C18H11NO2/c20-19(21)17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-11H |
InChI Key: | HCZVRRQDPKTLAK-UHFFFAOYSA-N |
Boiling Point: | 505 ℃ at 760 mmHg |
Density: | 1.342 g/cm3 |
LogP: | 5.57760 |
Publication Number | Title | Priority Date |
CN-113480576-A | Metal complex, organic electroluminescent element and consumer product | 20210707 |
WO-2021058969-A1 | Triphenylene derivatives for use in imaging biological tissue or fluid | 20190924 |
WO-2021058970-A1 | Polymers | 20190924 |
US-2011098414-A1 | Polymer Complex | 20060308 |
US-8530649-B2 | Polymer complex | 20060308 |
PMID | Publication Date | Title | Journal |
19651536 | 20091001 | A DFT study of the vibrational spectra of 1-, and 2-nitrotriphenylene | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
11482656 | 20010801 | Environmental occurrence of nitrotriphenylene observed in airborne particulate matter | Chemosphere |
Complexity: | 405 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.078978594 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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