3-Fluorophenoxyacetonitrile - CAS 135290-20-9

Catalog:	BB008126
Product Name:	3-Fluorophenoxyacetonitrile
CAS:	135290-20-9
Synonyms:	2-(3-fluorophenoxy)acetonitrile; 2-(3-fluorophenoxy)acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(3-fluorophenoxy)acetonitrile
Description:	3-Fluorophenoxyacetonitrile (CAS# 135290-20-9) is a useful research chemical.
Molecular Weight:	151.14
Molecular Formula:	C8H6FNO
Canonical SMILES:	C1=CC(=CC(=C1)F)OCC#N
InChI:	InChI=1S/C8H6FNO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,5H2
InChI Key:	IPEUJNOWOPRARM-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	1.72808

Publication Number	Title	Priority Date
EP-3611165-A1	Pyridone compound, and agricultural and horticultural fungicide having this as active component	20170411
US-2012232051-A1	3-amino-pyridines as gpbar1 agonists	20110303
WO-2012117000-A1	3-amino-pyridines as gpbar1 agonists	20110303
US-2012122929-A1	Heteroarylpiperidine and -piperazine derivatives as fungicides	20100825
WO-2012025557-A1	Heteroarylpiperidine and -piperazine derivatives as fungicides	20100825

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[55877-31-1]
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[2006278-12-0]
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[5724-76-5]
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[2241982-86-3]
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[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.043341977
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	151.043341977
Rotatable Bond Count:	2
Topological Polar Surface Area:	33
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7