3-(4-Acetylphenyl)benzonitrile - CAS 253678-90-9
Catalog: |
BB075391 |
Product Name: |
3-(4-Acetylphenyl)benzonitrile |
CAS: |
253678-90-9 |
Synonyms: |
3-(4-acetylphenyl)benzonitrile; 4'-Acetyl[1,1'-biphenyl]-3-carbonitrile; 4'-Acetyl-[1,1'-biphenyl]-3-carbonitrile; 4'-Acetylbiphenyl-3-carbonitrile |
IUPAC Name: | 3-(4-acetylphenyl)benzonitrile |
Description: | 3-(4-Acetylphenyl)benzonitrile |
Molecular Weight: | 221.25 |
Molecular Formula: | C15H11NO |
Canonical SMILES: | CC(=O)C1=CC=C(C=C1)C2=CC=CC(=C2)C#N |
InChI: | InChI=1S/C15H11NO/c1-11(17)13-5-7-14(8-6-13)15-4-2-3-12(9-15)10-16/h2-9H,1H3 |
InChI Key: | SRWQSYBXUHJWHV-UHFFFAOYSA-N |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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