3-(4-Fluorophenoxy)propionitrile - CAS 85169-02-4

Name: 3-(4-Fluorophenoxy)propionitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037520
Product Name:	3-(4-Fluorophenoxy)propionitrile
CAS:	85169-02-4
Synonyms:	3-(4-fluorophenoxy)propanenitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(4-fluorophenoxy)propanenitrile
Description:	3-(4-Fluorophenoxy)propionitrile (CAS# 85169-02-4) is a useful research chemical.
Molecular Weight:	165.16
Molecular Formula:	C9H8FNO
Canonical SMILES:	C1=CC(=CC=C1OCCC#N)F
InChI:	InChI=1S/C9H8FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2
InChI Key:	MSQBUHCLFYFIGC-UHFFFAOYSA-N
Boiling Point:	274 °C (lit.)
Density:	1.165 g/mL at 25°C(lit.)
MDL:	MFCD01569391
LogP:	2.11818

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile

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Publication Number	Title	Priority Date
US-10696663-B2	Chromene derivatives as inhibitors of TCR-NCK interaction	20180227
US-2019263792-A1	Chromene derivatives as inhibitors of tcr-nck interaction	20180227
WO-2019169001-A1	Chromene derivatives as inhibitors of tcr-nck interaction	20180227
AU-2019229258-A1	Chromene derivatives as inhibitors of TCR-Nck interaction	20180227
KR-20200140262-A	Chromene derivatives as inhibitors of TCR-NCK interactions	20180227

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.058992041
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.058992041
Rotatable Bond Count:	3
Topological Polar Surface Area:	33
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7