2-Chloro-4-(3,5-dichlorophenyl)benzonitrile - CAS 1355246-88-6
Catalog: |
BB069981 |
Product Name: |
2-Chloro-4-(3,5-dichlorophenyl)benzonitrile |
CAS: |
1355246-88-6 |
Synonyms: |
2-Chloro-4-(3,5-dichlorophenyl)benzonitrile; 3,3',5'-Trichloro[1,1'-biphenyl]-4-carbonitrile |
IUPAC Name: | 2-chloro-4-(3,5-dichlorophenyl)benzonitrile |
Description: | 2-Chloro-4-(3,5-dichlorophenyl)benzonitrile |
Molecular Weight: | 282.55 |
Molecular Formula: | C13H6Cl3N |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=CC(=C2)Cl)Cl)Cl)C#N |
InChI: | InChI=1S/C13H6Cl3N/c14-11-3-10(4-12(15)6-11)8-1-2-9(7-17)13(16)5-8/h1-6H |
InChI Key: | NJTWONBGMKFTSO-UHFFFAOYSA-N |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.956582 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.956582 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.2 |
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