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

[1427004-19-0]
DBCO-PEG4-NHS ester
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine

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