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 |
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 |
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 |
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