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

Technical Data

Patents

Computed Properties

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

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Related Functional Groups

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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