5-tert-Butylisophthalonitrile - CAS 24824-61-1
Catalog: |
BB018634 |
Product Name: |
5-tert-Butylisophthalonitrile |
CAS: |
24824-61-1 |
Synonyms: |
5-tert-butylbenzene-1,3-dicarbonitrile; 5-tert-butylbenzene-1,3-dicarbonitrile |
IUPAC Name: | 5-tert-butylbenzene-1,3-dicarbonitrile |
Description: | 5-tert-Butylisophthalonitrile (CAS# 24824-61-1 ) is a useful research chemical. |
Molecular Weight: | 184.24 |
Molecular Formula: | C12H12N2 |
Canonical SMILES: | CC(C)(C)C1=CC(=CC(=C1)C#N)C#N |
InChI: | InChI=1S/C12H12N2/c1-12(2,3)11-5-9(7-13)4-10(6-11)8-14/h4-6H,1-3H3 |
InChI Key: | PAULZRAVRYCSKL-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2021119139-A1 | Novel heterocyclic compound and organic light emitting device comprising the same | 20180424 |
US-2019131548-A1 | Organic compound, and light-emitting diode and light-emitting device including the same | 20171026 |
US-2020335707-A1 | Heterocyclic compound and organic electroluminescence device including the same | 20170704 |
US-2019169176-A1 | Novel amine-based compound and organic light emitting device using the same | 20170126 |
US-10968230-B2 | Spiro-structured compound and organic electronic device comprising same | 20160127 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.100048391 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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