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1-(3,4-Difluorophenyl)cyclopropanecarbonitrile

1-(3,4-Difluorophenyl)cyclopropanecarbonitrile - CAS 186347-65-9

Catalog:	BB014297
Product Name:	1-(3,4-Difluorophenyl)cyclopropanecarbonitrile
CAS:	186347-65-9
Synonyms:	1-(3,4-difluorophenyl)-1-cyclopropanecarbonitrile; 1-(3,4-difluorophenyl)cyclopropane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3,4-difluorophenyl)cyclopropane-1-carbonitrile
Description:	1-(3,4-Difluorophenyl)cyclopropanecarbonitrile (CAS# 186347-65-9 ) is a useful research chemical.
Molecular Weight:	179.17
Molecular Formula:	C10H7F2N
Canonical SMILES:	C1CC1(C#N)C2=CC(=C(C=C2)F)F
InChI:	InChI=1S/C10H7F2N/c11-8-2-1-7(5-9(8)12)10(6-13)3-4-10/h1-2,5H,3-4H2
InChI Key:	BUYXKEPFKQYIEW-UHFFFAOYSA-N
LogP:	2.51998

Publication Number	Title	Priority Date
US-2008176899-A1	Modulators of ATP-Binding Cassette transporters	20040820
US-2011306637-A1	Modulators of atp-binding cassette transporters	20040820
US-7977322-B2	Modulators of ATP-binding cassette transporters	20040820
US-8541453-B2	Modulators of ATP-binding cassette transporters	20040820
AU-2005210474-A1	Modulators of ATP-Binding cassette transporters	20040130

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Complexity:	251
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:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.05465555
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1