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2-Bromo-3-chloronitrobenzene

2-Bromo-3-chloronitrobenzene - CAS 19128-48-4

Catalog:	BB014804
Product Name:	2-Bromo-3-chloronitrobenzene
CAS:	19128-48-4
Synonyms:	2-bromo-1-chloro-3-nitrobenzene; 2-bromo-1-chloro-3-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1-chloro-3-nitrobenzene
Description:	2-Bromo-3-chloronitrobenzene (CAS# 19128-48-4) is a useful research chemical.
Molecular Weight:	236.45
Molecular Formula:	C6H3BrClNO2
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)Br)[N+](=O)[O-]
InChI:	InChI=1S/C6H3BrClNO2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H
InChI Key:	UYTRBIUOIKOGQO-UHFFFAOYSA-N
LogP:	3.53390

Publication Number	Title	Priority Date
CN-112174980-A	Organic compound with eight-membered ring as core structure and application thereof	20201029
CN-111548354-A	Organic light-emitting material and organic electroluminescent device	20200526
US-2021328153-A1	Electroluminescent materials and devices	20200413
CN-113497198-A	Organic electroluminescent compounds, various host materials and organic electroluminescent device comprising the same	20200406
DE-102021108423-A1	ORGANIC ELECTROLUMINESCENT COMPOUND, MULTIPLE HOST MATERIALS, AND THIS COMPREHENSIVE ORGANIC ELECTROLUMINESCENT DEVICE	20200406

PMID	Publication Date	Title	Journal
12628652	20030403	Synthesis, binding affinity, and transcriptional activity of hydroxy- and methoxy-substituted 3,4-diarylsalicylaldoximes on estrogen receptors alpha and beta	Bioorganic & medicinal chemistry

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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:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.90357
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.90357
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1