1-Benzofuran-5-carbonitrile - CAS 79002-39-4
Catalog: |
BB036267 |
Product Name: |
1-Benzofuran-5-carbonitrile |
CAS: |
79002-39-4 |
Synonyms: |
5-benzofurancarbonitrile; 1-benzofuran-5-carbonitrile |
IUPAC Name: | 1-benzofuran-5-carbonitrile |
Description: | 1-Benzofuran-5-carbonitrile (CAS# 79002-39-4) is a useful research chemical. |
Molecular Weight: | 143.14 |
Molecular Formula: | C9H5NO |
Canonical SMILES: | C1=CC2=C(C=CO2)C=C1C#N |
InChI: | InChI=1S/C9H5NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H |
InChI Key: | SXFQAFFSEZRQCJ-UHFFFAOYSA-N |
Boiling Point: | 260.8 °C at 760 mmHg |
Density: | 1.22 g/cm3 |
MDL: | MFCD05664402 |
LogP: | 2.30448 |
Publication Number | Title | Priority Date |
CN-111606823-A | Method for converting aromatic aldehyde into aromatic nitrile by using inorganic ammonium as nitrogen source and promoted by sulfur powder | 20200624 |
KR-20210067944-A | Organic light emitting device | 20191129 |
KR-20210067972-A | Organic light emitting device | 20191129 |
WO-2021107743-A1 | Organic light-emitting element | 20191129 |
WO-2020109520-A1 | Combined use of selective serotonin reuptake inhibitors and hematopoietic growth factors for treating hematopoietic diseases | 20181128 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.037113783 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.037113783 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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