5-Methoxybenzofurazan 3-oxide - CAS 3524-06-9

Catalog:	BB022548
Product Name:	5-Methoxybenzofurazan 3-oxide
CAS:	3524-06-9
Synonyms:	5-methoxy-3-oxido-2,1,3-benzoxadiazol-3-ium

Technical Data

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Computed Properties

IUPAC Name:	5-methoxy-3-oxido-2,1,3-benzoxadiazol-3-ium
Description:	5-Methoxybenzofurazan 3-oxide (CAS# 3524-06-9 ) is a useful research chemical.
Molecular Weight:	166.13
Molecular Formula:	C7H6N2O3
Canonical SMILES:	COC1=CC2=[N+](ON=C2C=C1)[O-]
InChI:	InChI=1S/C7H6N2O3/c1-11-5-2-3-6-7(4-5)9(10)12-8-6/h2-4H,1H3
InChI Key:	XCWFKHHSXPIDHN-UHFFFAOYSA-N
Boiling Point:	291.2 °C at 760 mmHg
Density:	1.46 g/cm³
MDL:	MFCD00192265
LogP:	1.26490

Publication Number	Title	Priority Date
KR-102108567-B1	Pharmaceutical composition for colorectal cancer with inhibiting the activity of Peroxiredoxin	20170627
KR-20190001574-A	Pharmaceutical composition for colorectal cancer with inhibiting the activity of Peroxiredoxin	20170627
US-2020129508-A1	Pharmaceutical composition comprising substance inhibiting enzymatic activity of peroxiredoxin 2 as effective ingredient for treatment of colorectal cancer	20170627
WO-2019004732-A1	PHARMACEUTICAL COMPOSITION COMPRISING A SUBSTANCE INHIBITING THE ENZYMATIC ACTIVITY OF PEROXYREDOXIN 2 AS AN ACTIVE INGREDIENT FOR THE TREATMENT OF COLORECTAL CANCER	20170627
US-3420654-A	Method of controlling growth of algae with benzofurazans and benzofurazan-1-oxides	19651023

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.03784206
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.03784206
Rotatable Bond Count:	1
Topological Polar Surface Area:	60.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4