4-Methyl-2,1,3-benzoxadiazole - CAS 29091-40-5
Catalog: |
BB020089 |
Product Name: |
4-Methyl-2,1,3-benzoxadiazole |
CAS: |
29091-40-5 |
Synonyms: |
4-methyl-2,1,3-benzoxadiazole; 4-methyl-2,1,3-benzoxadiazole |
IUPAC Name: | 4-methyl-2,1,3-benzoxadiazole |
Description: | 4-Methyl-2,1,3-benzoxadiazole (CAS# 29091-40-5) is a useful reactant for the synthesis of benzochalcogenodiazole for the use as organic solar cells. |
Molecular Weight: | 134.14 |
Molecular Formula: | C7H6N2O |
Canonical SMILES: | CC1=CC=CC2=NON=C12 |
InChI: | InChI=1S/C7H6N2O/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3 |
InChI Key: | PTXJEYIAUIOTSH-UHFFFAOYSA-N |
LogP: | 1.53120 |
Publication Number | Title | Priority Date |
US-2021171705-A1 | Conjugated polymer material and organic photovoltaic device using the same | 20191205 |
WO-2021058595-A1 | Herbicidal compounds | 20190924 |
WO-2021043116-A1 | Biphenyl compounds, preparation method therefor and medical use thereof | 20190902 |
WO-2020182159-A1 | Jak kinase inhibitor, preparation method for same, and applications thereof in field of medicine | 20190314 |
WO-2020079307-A1 | 4-phenyl dihydropyridine derivatives for the treatment and/or prevention of an infection or disease caused by helicobacter | 20181019 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.048012819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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