trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene - CAS 207605-39-8

Catalog:	BB016264
Product Name:	trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
CAS:	207605-39-8
Synonyms:	1,2,3,4,5-pentafluoro-6-[(E)-2-nitroethenyl]benzene

Technical Data

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Literatures

Computed Properties

IUPAC Name:	1,2,3,4,5-pentafluoro-6-[(E)-2-nitroethenyl]benzene
Description:	trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene (CAS# 207605-39-8 ) is a useful research chemical.
Molecular Weight:	239.10
Molecular Formula:	C8H2F5NO2
Canonical SMILES:	C(=C[N+](=O)[O-])C1=C(C(=C(C(=C1F)F)F)F)F
InChI:	InChI=1S/C8H2F5NO2/c9-4-3(1-2-14(15)16)5(10)7(12)8(13)6(4)11/h1-2H/b2-1+
InChI Key:	LBBACRWAXVCTNR-OWOJBTEDSA-N
Boiling Point:	204 °C (lit.)
Melting Point:	19 °C(lit.)
Purity:	95 %
Density:	1.591 g/cm³
MDL:	MFCD00192379
LogP:	3.15270

Publication Number	Title	Priority Date
CN-111499313-A	Cement-based aerogel heat-insulation plate and preparation method thereof	20200528
EP-3348587-A1	Modifying agent, method for preparing same, and modified conjugated diene-based polymer comprising same	20161121
EP-1493061-A2	Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition	20020411
EP-1493061-A4	POLYMER ANTIREFLECTIVE COATINGS REMOVED BY IMPROVED PLASMA CHEMICAL VAPOR DEPOSITION	20020411
JP-2005522581-A	Polymeric antireflective coatings formed by plasma enhanced chemical vapor deposition.	20020411

PMID	Publication Date	Title	Journal
23841482	20130808	Improved flavodoxin inhibitors with potential therapeutic effects against Helicobacter pylori infection	Journal of medicinal chemistry

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Related Functional Groups

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Other Pyrimidines

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[13566-71-7]
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[927800-47-3]
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trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1489-53-8]
1,2,3-Trifluorobenzene

Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	239.00056912
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.00056912
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7