2-Bromo-1-methoxy-3-nitrobenzene - CAS 67853-37-6

Catalog:	BB033420
Product Name:	2-Bromo-1-methoxy-3-nitrobenzene
CAS:	67853-37-6
Synonyms:	2-bromo-1-methoxy-3-nitrobenzene; 2-bromo-1-methoxy-3-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1-methoxy-3-nitrobenzene
Description:	2-Bromo-1-methoxy-3-nitrobenzene (CAS# 67853-37-6) is a useful research chemical.
Molecular Weight:	232.03
Molecular Formula:	C7H6BrNO3
Canonical SMILES:	COC1=CC=CC(=C1Br)[N+](=O)[O-]
InChI:	InChI=1S/C7H6BrNO3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,1H3
InChI Key:	KCFDURKFXBLIAY-UHFFFAOYSA-N
Boiling Point:	273.274 °C at 760 mmHg
Density:	1.64 g/cm³
Appearance:	Solid
MDL:	MFCD07779272
LogP:	2.88910

Publication Number	Title	Priority Date
WO-2021195346-A1	Lipoxygenase inhibitors	20200325
CN-107973727-A	Between disubstituted benzenes phenolic compounds and preparation method thereof and anti-tubercle bacillus application	20171211
TW-201922721-A	Chemical compounds	20170907
WO-2019049061-A1	5- (1H-BENZO [D] IMIDAZO-2-YL) -PYRIDIN-2-AMINE AND 5- (3H-IMIDAZO [4,5-B] PYRIDIN-6-YL) -PYRIDIN-2- DERIVATIVES AMINE AS HISTONE ACETYLTRANSFERASE INHIBITORS OF C-MYC AND P300 / CBP FOR THE TREATMENT OF CANCER	20170907
CN-110621667-A	Pyrimidine derivatives	20170518

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6