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2,5-Bis(4-fluorophenyl)thiophene-3-carbonitrile

2,5-Bis(4-fluorophenyl)thiophene-3-carbonitrile - CAS 908588-07-8

Catalog:	BB039972
Product Name:	2,5-Bis(4-fluorophenyl)thiophene-3-carbonitrile
CAS:	908588-07-8
Synonyms:	2,5-bis(4-fluorophenyl)-3-thiophenecarbonitrile; 2,5-bis(4-fluorophenyl)thiophene-3-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2,5-bis(4-fluorophenyl)thiophene-3-carbonitrile
Description:	2,5-Bis(4-fluorophenyl)thiophene-3-carbonitrile (CAS# 908588-07-8 ) is a useful research chemical.
Molecular Weight:	297.32
Molecular Formula:	C17H9F2NS
Canonical SMILES:	C1=CC(=CC=C1C2=CC(=C(S2)C3=CC=C(C=C3)F)C#N)F
InChI:	InChI=1S/C17H9F2NS/c18-14-5-1-11(2-6-14)16-9-13(10-20)17(21-16)12-3-7-15(19)8-4-12/h1-9H
InChI Key:	DMELSFULBVEPQZ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CA-2833783-A1	Design and synthesis of novel antimicrobials	20060306
CA-2603534-A1	Design and synthesis of novel antimicrobials	20050304
CA-2603534-C	Design and synthesis of novel antimicrobials	20050304
US-2010076028-A1	Design and Synthesis of Novel Antimicrobials	20050304
US-8835476-B2	Synthesis of novel antimicrobials	20050304

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Complexity:	391
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	297.04237679
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	297.04237679
Rotatable Bond Count:	2
Topological Polar Surface Area:	52
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8