2-(2-Nitrophenyl)imidazole - CAS 4205-06-5

Catalog:	BB025022
Product Name:	2-(2-Nitrophenyl)imidazole
CAS:	4205-06-5
Synonyms:	2-(2-nitrophenyl)-1H-imidazole; 2-(2-nitrophenyl)-1H-imidazole

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Computed Properties

IUPAC Name:	2-(2-nitrophenyl)-1H-imidazole
Description:	2-(2-Nitrophenyl)imidazole (CAS# 4205-06-5 ) is a useful research chemical.
Molecular Weight:	189.17
Molecular Formula:	C9H7N3O2
Canonical SMILES:	C1=CC=C(C(=C1)C2=NC=CN2)[N+](=O)[O-]
InChI:	InChI=1S/C9H7N3O2/c13-12(14)8-4-2-1-3-7(8)9-10-5-6-11-9/h1-6H,(H,10,11)
InChI Key:	NEJHPXADNMJLGB-UHFFFAOYSA-N
LogP:	2.50810

Publication Number	Title	Priority Date
US-2020299282-A1	Compounds and methods for treating cancer	20190320
WO-2016049790-A1	Method for producing pyrimido- or imidazo-quinoline-derived compounds from n-(2-cyanophenyl)benzimidoyl chloride with ethylenediamine or 1,3-diaminopropane	20140930
CN-101863894-A	Tanshinone II A derivative and preparation method and application thereof	20100601
CN-101863894-B	Tanshinone II A derivative and preparation method and application thereof	20100601
CN-101735217-A	Application of imidazole [4,5-f][1,10] phenanthroline and derivative thereof to preparation of antineoplastic drug	20091215

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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Related Functional Groups

Imidazoles

[54004-47-6]
1-Tetradecylimidazole
[676372-30-8]
1-Benzyl-1H-imidazole-4-carboxylic acid
[5317-07-7]
1-Benzyl-1H-imidazole-5-carboxylic acid
[1011398-11-0]
Ethyl 2-(1H-imidazol-1-yl)butanoate
[74478-96-9]
Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate
[63875-06-9]
1-Methyl-2-phenyl-4-(trifluoromethyl)-1H-imidazole

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Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.053826475
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.053826475
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6