2-Methylbenzofuran-5-carbonitrile - CAS 16238-12-3
Catalog: |
BB011864 |
Product Name: |
2-Methylbenzofuran-5-carbonitrile |
CAS: |
16238-12-3 |
Synonyms: |
2-methyl-5-benzofurancarbonitrile; 2-methyl-1-benzofuran-5-carbonitrile |
IUPAC Name: | 2-methyl-1-benzofuran-5-carbonitrile |
Description: | 2-Methylbenzofuran-5-carbonitrile (CAS# 16238-12-3 ) is a useful research chemical. |
Molecular Weight: | 157.17 |
Molecular Formula: | C10H7NO |
Canonical SMILES: | CC1=CC2=C(O1)C=CC(=C2)C#N |
InChI: | InChI=1S/C10H7NO/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-5H,1H3 |
InChI Key: | PBLGVAGVKWFRJJ-UHFFFAOYSA-N |
LogP: | 2.61288 |
Publication Number | Title | Priority Date |
EP-2922137-B1 | Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode, and method for manufacturing dye-sensitized solar cell | 20130325 |
WO-2014063199-A1 | Organic compounds | 20121026 |
EP-3318557-A2 | Quinolone compound | 20110831 |
US-2021032207-A1 | Quinolone compound | 20110831 |
US-2013296309-A1 | Aryl pyridine as aldosterone synthase inhibitors | 20090515 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.052763847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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