5-Bromoisophthalonitrile - CAS 160892-07-9
Catalog: |
BB011677 |
Product Name: |
5-Bromoisophthalonitrile |
CAS: |
160892-07-9 |
Synonyms: |
5-bromobenzene-1,3-dicarbonitrile; 5-bromobenzene-1,3-dicarbonitrile |
IUPAC Name: | 5-bromobenzene-1,3-dicarbonitrile |
Description: | 5-Bromoisophthalonitrile (CAS# 160892-07-9) is a useful research chemical. |
Molecular Weight: | 207.03 |
Molecular Formula: | C8H3BrN2 |
Canonical SMILES: | C1=C(C=C(C=C1C#N)Br)C#N |
InChI: | InChI=1S/C8H3BrN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H |
InChI Key: | KEODZYDOBHDZOT-UHFFFAOYSA-N |
Boiling Point: | 257 ℃ |
Density: | 1.68 g/cm3 |
Appearance: | Off-white to light yellow powder |
MDL: | MFCD08061936 |
LogP: | 2.19246 |
Publication Number | Title | Priority Date |
CN-112159361-A | Electron transport material, organic electroluminescent device and display device | 20201106 |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
WO-2021066319-A2 | Tertiary amine derivative and organic electroluminescent element comprising same | 20191004 |
KR-20210040774-A | Tertiary amine derivatives and organic electroluminescent device including the same | 20191004 |
WO-2021020798-A1 | Heterocyclic compound and organic light-emitting device comprising same | 20190726 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.94796 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.94796 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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