5-Chloroisophthalonitrile - CAS 109292-88-8

Catalog:	BB002426
Product Name:	5-Chloroisophthalonitrile
CAS:	109292-88-8
Synonyms:	5-chlorobenzene-1,3-dicarbonitrile; 5-chlorobenzene-1,3-dicarbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-chlorobenzene-1,3-dicarbonitrile
Description:	5-Chloroisophthalonitrile (CAS# 109292-88-8 ) is a useful research chemical.
Molecular Weight:	162.58
Molecular Formula:	C8H3ClN2
Canonical SMILES:	C1=C(C=C(C=C1C#N)Cl)C#N
InChI:	InChI=1S/C8H3ClN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H
InChI Key:	ZHOVALSFPCDZLE-UHFFFAOYSA-N
LogP:	0.00000

Publication Number	Title	Priority Date
TW-201217387-A	Azabenzothiazole compounds, compositions and methods of use	20100915
JP-2006282575-A	Handling of fluorine-containing phthalonitriles	20050331
EP-1370356-A1	Chiral stationary phases based on derivatives of 4-amino-3,5-dinitrobenzoic acid	20010307
JP-2004531704-A	Chiral stationary phases based on derivatives of 4-amino-3,5-dinitrobenzoic acid	20010307
US-2004144708-A1	Chiral stationary phases based on derivatives of 4-amino-3,5-dinitrobenzoic acid	20010307

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Nitrogen Compounds

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Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.9984758
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.9984758
Rotatable Bond Count:	0
Topological Polar Surface Area:	47.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2