4-Chloro-3-fluorophenylacetonitrile - CAS 251570-03-3

Catalog:	BB018765
Product Name:	4-Chloro-3-fluorophenylacetonitrile
CAS:	251570-03-3
Synonyms:	2-(4-chloro-3-fluorophenyl)acetonitrile; 2-(4-chloro-3-fluorophenyl)acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(4-chloro-3-fluorophenyl)acetonitrile
Description:	4-Chloro-3-fluorophenylacetonitrile (CAS# 251570-03-3) is a useful research chemical.
Molecular Weight:	169.58
Molecular Formula:	C8H5ClFN
Canonical SMILES:	C1=CC(=C(C=C1CC#N)F)Cl
InChI:	InChI=1S/C8H5ClFN/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChI Key:	IDBYHCGSWMSFLY-UHFFFAOYSA-N
Boiling Point:	253.4 °C at 760 mmHg
Density:	1.286 g/cm³
MDL:	MFCD04115860
LogP:	2.54518

Publication Number	Title	Priority Date
KR-20190075095-A	Pharmaceutical compound	20161018
KR-101992505-B1	Aminopyrimidine derivatives for use as modulators of kinase activity	20110912
KR-20140062494-A	Aminopyrimidine derivatives for use as modulators of kinase activity	20110912
AU-2011214506-A1	Substituted pyrrolidine-2-carboxamides	20100209
AU-2011214506-B2	Substituted pyrrolidine-2-carboxamides	20100209

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.009455
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	169.009455
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3