2-(3-Bromophenyl)imidazole - CAS 937013-66-6

Catalog:	BB041036
Product Name:	2-(3-Bromophenyl)imidazole
CAS:	937013-66-6
Synonyms:	2-(3-bromophenyl)-1H-imidazole; 2-(3-bromophenyl)-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	2-(3-bromophenyl)-1H-imidazole
Description:	2-(3-Bromophenyl)imidazole (CAS# 937013-66-6 ) is a useful research chemical.
Molecular Weight:	223.07
Molecular Formula:	C9H7BrN2
Canonical SMILES:	C1=CC(=CC(=C1)Br)C2=NC=CN2
InChI:	InChI=1S/C9H7BrN2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-6H,(H,11,12)
InChI Key:	NVNCBJALMQWYAO-UHFFFAOYSA-N
Appearance:	Brown powder
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD08668744
LogP:	2.83920

Publication Number	Title	Priority Date
EP-3197894-A1	Naphthyridine derivatives as alpha v beta 6 integrin antagonists for the treatment of e.g. fibrotic diseases	20140926
WO-2016046230-A1	Naphthyridine derivatives as alpha v beta 6 integrin antagonists for the treatment of e.g. fibrotic diseases	20140926
CN-104650088-A	Carbazolyl-containing derivative and application thereof in organic electroluminescence devices	20131226
CN-104650089-A	Fluorene derivative containing carbazole-9-yl group and application thereof	20131226
CN-104650090-A	Fluorene derivative containing carbazole-3-yl group and application thereof	20131226

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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:	152
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