2-[4-(Trifluoromethyl)phenyl]pyrrole - CAS 115464-88-5

Catalog:	BB003566
Product Name:	2-[4-(Trifluoromethyl)phenyl]pyrrole
CAS:	115464-88-5
Synonyms:	2-[4-(trifluoromethyl)phenyl]-1H-pyrrole; 2-[4-(trifluoromethyl)phenyl]-1H-pyrrole

Technical Data

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Computed Properties

IUPAC Name:	2-[4-(trifluoromethyl)phenyl]-1H-pyrrole
Description:	2-[4-(Trifluoromethyl)phenyl]pyrrole (CAS# 115464-88-5 ) is a useful research chemical.
Molecular Weight:	211.18
Molecular Formula:	C11H8F3N
Canonical SMILES:	C1=CNC(=C1)C2=CC=C(C=C2)C(F)(F)F
InChI:	InChI=1S/C11H8F3N/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10/h1-7,15H
InChI Key:	LNMAAEZCMFBLTE-UHFFFAOYSA-N
LogP:	3.70050

Publication Number	Title	Priority Date
CN-110177796-A	New qualone derivative and the pharmaceutical composition for being used to prevent or treat allergic disease such as asthma or idiocrasy as active constituent comprising the qualone derivative	20170106
WO-2014048165-A1	Compound as potassium channel modulator	20120927
CN-104245674-A	New phenyl-tetrahydroisoquinoline derivatives	20120417
US-2012115848-A1	Inhibitors of Polo-Like Kinase	20101008
TW-201209055-A	5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors	20100823

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Complexity:	206
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