2-(3,4-Difluorophenyl)pyrrole - CAS 2096453-80-2

Catalog:	BB016468
Product Name:	2-(3,4-Difluorophenyl)pyrrole
CAS:	2096453-80-2
Synonyms:	2-(3,4-difluorophenyl)-1H-pyrrole; 2-(3,4-difluorophenyl)-1H-pyrrole

Technical Data

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Computed Properties

IUPAC Name:	2-(3,4-difluorophenyl)-1H-pyrrole
Description:	2-(3,4-Difluorophenyl)pyrrole (CAS# 2096453-80-2 ) is a useful research chemical.
Molecular Weight:	179.17
Molecular Formula:	C10H7F2N
Canonical SMILES:	C1=CNC(=C1)C2=CC(=C(C=C2)F)F
InChI:	InChI=1S/C10H7F2N/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h1-6,13H
InChI Key:	DUJRFPBQBYHKRI-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-106946909-A	The nitro imidazole derivatives for the treatment of pulmonery tuberculosis disease	20160106
CN-107207532-A	The nitro imidazole derivatives for the treatment of pulmonery tuberculosis disease	20150129
CN-107207532-B	The nitro imidazole derivatives for the treatment of pulmonery tuberculosis disease	20150129
EP-0863757-A1	2-substituted aryl pyrroles, compositions containing such compounds and methods of use	19950810
JP-H11510510-A	2-Substituted arylpyrroles, compositions containing such compounds and methods of use	19950810

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.05465555
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.05465555
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6