3-(4-Chlorophenyl)benzonitrile - CAS 89346-59-8
Catalog: |
BB069632 |
Product Name: |
3-(4-Chlorophenyl)benzonitrile |
CAS: |
89346-59-8 |
Synonyms: |
3-(4-chlorophenyl)benzonitrile; 4'-CHLORO-[1,1'-BIPHENYL]-3-CARBONITRILE; 4'-Chlorobiphenyl-3-carbonitrile |
IUPAC Name: | 3-(4-chlorophenyl)benzonitrile |
Description: | 3-(4-Chlorophenyl)benzonitrile |
Molecular Weight: | 213.66 |
Molecular Formula: | C13H8ClN |
Canonical SMILES: | C1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)C#N |
InChI: | InChI=1S/C13H8ClN/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-8H |
InChI Key: | NLYWRRITUDDJRO-UHFFFAOYSA-N |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.034527 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.034527 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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