2-(4-Bromophenyl)imidazole - CAS 176961-53-8

Catalog:	BB013262
Product Name:	2-(4-Bromophenyl)imidazole
CAS:	176961-53-8
Synonyms:	2-(4-bromophenyl)-1H-imidazole; 2-(4-bromophenyl)-1H-imidazole

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Computed Properties

IUPAC Name:	2-(4-bromophenyl)-1H-imidazole
Description:	2-(4-Bromophenyl)imidazole (CAS# 176961-53-8) is a useful research chemical.
Molecular Weight:	223.07
Molecular Formula:	C9H7BrN2
Canonical SMILES:	C1=CC(=CC=C1C2=NC=CN2)Br
InChI:	InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,(H,11,12)
InChI Key:	IRIGPPDONXVEHU-UHFFFAOYSA-N
Boiling Point:	383.41 °C at 760 mmHg
Density:	1.566 g/cm³
LogP:	2.83920

Publication Number	Title	Priority Date
WO-2021203016-A2	Protein-protein interaction stabilizers	20200403
CN-109438444-A	It a kind of imidazo [1,2- Î±] pyridine derivate, preparation method and its is applied in color-change powder	20181228
EP-3597642-A1	Pharmaceutical 6,5 heterobicyclic ring derivatives	20180720
TW-201946624-A	Heteroaryl compounds and uses thereof	20180509
WO-2019158731-A1	Pharmaceutical 6,5 heterobicyclic ring derivatives	20180216

PMID	Publication Date	Title	Journal
18851889	20090601	Synthesis, antimicrobial and antiviral evaluation of substituted imidazole derivatives	European journal of medicinal chemistry

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.97926
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.97926
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6