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3-Bromo-4-chloro-5-nitropyridine

3-Bromo-4-chloro-5-nitropyridine - CAS 31872-63-6

Catalog:	BB021079
Product Name:	3-Bromo-4-chloro-5-nitropyridine
CAS:	31872-63-6
Synonyms:	3-bromo-4-chloro-5-nitropyridine; 3-bromo-4-chloro-5-nitropyridine

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-4-chloro-5-nitropyridine
Description:	3-Bromo-4-chloro-5-nitropyridine (CAS# 31872-63-6) is a useful research chemical.
Molecular Weight:	237.44
Molecular Formula:	C5H2BrClN2O2
Canonical SMILES:	C1=C(C(=C(C=N1)Br)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C5H2BrClN2O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H
InChI Key:	FTQGEZJTBYMEIH-UHFFFAOYSA-N
Boiling Point:	285 °C
Density:	1.936 g/cm³
MDL:	MFCD07368836
LogP:	2.92890

Publication Number	Title	Priority Date
CN-111995623-A	Synthesis method of 7-bromo-4-chloro-1-methyl-1H-imidazo [4,5-c ] pyridine	20200818
WO-2021191359-A1	Monoacylglycerol lipase modulators	20200326
CN-111732584-A	Diaryl substituted fused heterocyclic compound, preparation method thereof and application thereof in pharmacy	20190325
WO-2020131629-A1	Bicyclic derivatives	20181218
CN-113474044-A	Bicyclic derivatives	20181218

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GHS Hazard Statement:	H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.89882
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	235.89882
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2