2-[3-(Trifluoromethyl)phenyl]pyrrole - CAS 41819-49-2

Catalog:	BB024968
Product Name:	2-[3-(Trifluoromethyl)phenyl]pyrrole
CAS:	41819-49-2
Synonyms:	2-[3-(trifluoromethyl)phenyl]-1H-pyrrole; 2-[3-(trifluoromethyl)phenyl]-1H-pyrrole

Technical Data

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Computed Properties

IUPAC Name:	2-[3-(trifluoromethyl)phenyl]-1H-pyrrole
Description:	2-[3-(Trifluoromethyl)phenyl]pyrrole (CAS# 41819-49-2 ) is a useful research chemical.
Molecular Weight:	211.18
Molecular Formula:	C11H8F3N
Canonical SMILES:	C1=CC(=CC(=C1)C(F)(F)F)C2=CC=CN2
InChI:	InChI=1S/C11H8F3N/c12-11(13,14)9-4-1-3-8(7-9)10-5-2-6-15-10/h1-7,15H
InChI Key:	HMDNARSNJHZVFK-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-105593212-A	New phenyl-dihydropyridine derivatives as aldosterone synthase inhibitors	20131017
WO-2004009592-A1	Bicyclic unsaturated tertiary amine compound	20020719
WO-02057254-A1	Compositions for prevention or treatment of hepatopathy	20010118
EP-0863757-A1	2-substituted aryl pyrroles, compositions containing such compounds and methods of use	19950810
JP-3294616-B2	2-Substituted arylpyrroles, compositions containing such compounds and methods of use	19950810

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Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.06088375
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.06088375
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5