2-(3-Nitrophenyl)imidazole - CAS 13682-18-3

Catalog:	BB008428
Product Name:	2-(3-Nitrophenyl)imidazole
CAS:	13682-18-3
Synonyms:	2-(3-nitrophenyl)-1H-imidazole; 2-(3-nitrophenyl)-1H-imidazole

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Computed Properties

IUPAC Name:	2-(3-nitrophenyl)-1H-imidazole
Description:	2-(3-Nitrophenyl)imidazole (CAS# 13682-18-3) is a useful research chemical.
Molecular Weight:	189.17
Molecular Formula:	C9H7N3O2
Canonical SMILES:	C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC=CN2
InChI:	InChI=1S/C9H7N3O2/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9/h1-6H,(H,10,11)
InChI Key:	ZPWKGNWCVRBHJB-UHFFFAOYSA-N
Boiling Point:	430.5 °C at 760 mmHg
Density:	1.369 g/cm³
LogP:	2.50810

Publication Number	Title	Priority Date
WO-2021069705-A1	Isoindolinone compounds	20191009
AU-2018265148-A1	Diarylureas as CB1 allosteric modulators	20170512
CN-110621656-A	Diaryl ureas as CB1 allosteric modulators	20170512
EP-3621951-A1	Diarylureas as cb1 allosteric modulators	20170512
US-2020062699-A1	Diarylureas as cb1 allosteric modulators	20170512

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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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:	1.7