1-(2-Fluoro-4-nitrophenyl)pyrrolidine - CAS 385380-74-5

Catalog:	BB023699
Product Name:	1-(2-Fluoro-4-nitrophenyl)pyrrolidine
CAS:	385380-74-5
Synonyms:	1-(2-fluoro-4-nitrophenyl)pyrrolidine; 1-(2-fluoro-4-nitrophenyl)pyrrolidine

Technical Data

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Computed Properties

IUPAC Name:	1-(2-fluoro-4-nitrophenyl)pyrrolidine
Description:	1-(2-Fluoro-4-nitrophenyl)pyrrolidine (CAS# 385380-74-5) is a useful research chemical.
Molecular Weight:	210.20
Molecular Formula:	C10H11FN2O2
Canonical SMILES:	C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])F
InChI:	InChI=1S/C10H11FN2O2/c11-9-7-8(13(14)15)3-4-10(9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChI Key:	SMKXLBISYVJESG-UHFFFAOYSA-N
Boiling Point:	345.1 °C at 760 mmHg
Density:	1.313 g/cm³
LogP:	2.92230

Publication Number	Title	Priority Date
US-9320722-B2	Regulators of aldehyde dehydrogenase ALDH3A1 and related therapeutic methods	20130927
TW-201506011-A	Nitrogenous heterocyclic derivatives and their application in drugs	20130813
TW-I607995-B	Nitrogenous heterocyclic derivatives and their application in drugs	20130813
AU-2013292950-A1	Nitrogenous heterocyclic derivatives and their application in drugs	20120718
AU-2013292950-B2	Nitrogenous heterocyclic derivatives and their application in drugs	20120718

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Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.08045576
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.08045576
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5