2-Chloro-4-(3-chloro-4-cyanophenyl)benzonitrile - CAS 1068162-79-7
Catalog: |
BB069655 |
Product Name: |
2-Chloro-4-(3-chloro-4-cyanophenyl)benzonitrile |
CAS: |
1068162-79-7 |
Synonyms: |
2-Chloro-4-(3-chloro-4-cyanophenyl)benzonitrile; 3,3'-Dichloro[1,1'-biphenyl]-4,4'-dicarbonitrile |
IUPAC Name: | 2-chloro-4-(3-chloro-4-cyanophenyl)benzonitrile |
Description: | 2-Chloro-4-(3-chloro-4-cyanophenyl)benzonitrile |
Molecular Weight: | 273.12 |
Molecular Formula: | C14H6Cl2N2 |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=C(C=C2)C#N)Cl)Cl)C#N |
InChI: | InChI=1S/C14H6Cl2N2/c15-13-5-9(1-3-11(13)7-17)10-2-4-12(8-18)14(16)6-10/h1-6H |
InChI Key: | TWDXKOQPECRHJO-UHFFFAOYSA-N |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.9908036 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.9908036 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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