(E)-1-Fluoro-4-(2-nitrovinyl)benzene - CAS 5153-69-5

Catalog:	BB027483
Product Name:	(E)-1-Fluoro-4-(2-nitrovinyl)benzene
CAS:	5153-69-5
Synonyms:	1-fluoro-4-[(E)-2-nitroethenyl]benzene; 1-fluoro-4-[(E)-2-nitroethenyl]benzene

Technical Data

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Computed Properties

IUPAC Name:	1-fluoro-4-[(E)-2-nitroethenyl]benzene
Description:	(E)-1-Fluoro-4-(2-nitrovinyl)benzene (CAS# 5153-69-5) is used in enantioselective Synthesis of Cyclohexenol derivatives .
Molecular Weight:	167.14
Molecular Formula:	C8H6FNO2
Canonical SMILES:	C1=CC(=CC=C1C=C[N+](=O)[O-])F
InChI:	InChI=1S/C8H6FNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+
InChI Key:	VRFSQVFSQAYHRU-AATRIKPKSA-N
Boiling Point:	254.5 °C at 760 mmHg
Density:	1.276 g/cm³
LogP:	2.59630

Publication Number	Title	Priority Date
CN-111217707-A	preparation method of Î² -trans-nitroolefin	20200317
CN-111116613-A	Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof	20191213
CN-111116613-B	Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof	20191213
CN-110627725-A	4-substituted 5-difluoromethyl-3-nitro-1H-pyrazole compound and preparation method and application thereof	20191014
WO-2020205455-A1	Peripheral alkyl and alkenyl chains extended benzene derivatives and pharmaceutical composition including the same	20190329

PMID	Publication Date	Title	Journal
23841482	20130808	Improved flavodoxin inhibitors with potential therapeutic effects against Helicobacter pylori infection	Journal of medicinal chemistry
17574419	20070815	Synthesis and biological evaluation of N-acetyl-beta-aryl-1,2-didehydroethylamines as new HIV-1 RT inhibitors in vitro	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	167.03825660
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.03825660
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9