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2-Bromo-4-methoxynitrobenzene

2-Bromo-4-methoxynitrobenzene - CAS 98447-30-4

Catalog:	BB042166
Product Name:	2-Bromo-4-methoxynitrobenzene
CAS:	98447-30-4
Synonyms:	2-bromo-4-methoxy-1-nitrobenzene; 2-bromo-4-methoxy-1-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-4-methoxy-1-nitrobenzene
Description:	2-Bromo-4-methoxynitrobenzene (CAS# 98447-30-4) is a useful research chemical.
Molecular Weight:	232.03
Molecular Formula:	C7H6BrNO3
Canonical SMILES:	COC1=CC(=C(C=C1)[N+](=O)[O-])Br
InChI:	InChI=1S/C7H6BrNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChI Key:	RYKPDLZQIABTMY-UHFFFAOYSA-N
Boiling Point:	279.409 °C at 760 mmHg
Density:	1.64 g/cm³
LogP:	2.88910

Publication Number	Title	Priority Date
WO-2021188880-A1	Benzenesulfonamide derivatives as trap1 modulators and uses thereof	20200320
WO-2020257495-A1	Inhibitors of erythrocyte band 3 tyrosine phosphorylation and uses thereof	20190618
CN-107325002-A	A kind of synthetic method using aryl carboxylic acid as the aryl halide of raw material	20170628
CN-107325002-B	Method for synthesizing aryl halide by taking aryl carboxylic acid as raw material	20170628
EP-3484878-A1	Bicyclic heteroaryl substituted compounds	20160714

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Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.95311
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.95311
Rotatable Bond Count:	1
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5