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3-Chloro-5-(trifluoromethyl)phenylacetonitrile

3-Chloro-5-(trifluoromethyl)phenylacetonitrile - CAS 886496-95-3

Catalog:	BB039095
Product Name:	3-Chloro-5-(trifluoromethyl)phenylacetonitrile
CAS:	886496-95-3
Synonyms:	2-[3-chloro-5-(trifluoromethyl)phenyl]acetonitrile; 2-[3-chloro-5-(trifluoromethyl)phenyl]acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-[3-chloro-5-(trifluoromethyl)phenyl]acetonitrile
Description:	3-Chloro-5-(trifluoromethyl)phenylacetonitrile (CAS# 886496-95-3) is a useful research chemical.
Molecular Weight:	219.59
Molecular Formula:	C9H5ClF3N
Canonical SMILES:	C1=C(C=C(C=C1C(F)(F)F)Cl)CC#N
InChI:	InChI=1S/C9H5ClF3N/c10-8-4-6(1-2-14)3-7(5-8)9(11,12)13/h3-5H,1H2
InChI Key:	OGYGRYBLLSUSDE-UHFFFAOYSA-N
MDL:	MFCD04115850
LogP:	3.42488

Publication Number	Title	Priority Date
AU-2018257331-A1	Heterocyclic compound	20170427
BR-112019022465-A2	COMPOUND, MEDICINE, METHODS FOR ANTAGONIZING A CALCIUM SENSOR RECEIVER IN A MAMMALIAN AND TO PREVENT OR TREAT HEART FAILURE AND PULMONARY HYPERTENSION IN A MAMMALIAN, AND, USE OF THE COMPOUND.	20170427
CA-3061600-A1	Heterocyclic compound	20170427
CN-110573512-A	Heterocyclic compounds	20170427
EP-3617209-A1	Heterocyclic compound	20170427

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Related Functional Groups

Nitrogen Compounds

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2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[5071-96-5]
3-Methoxybenzylamine

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Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.0062613
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.0062613
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1