2-(3,5-dimethylphenyl)benzonitrile - CAS 1355247-46-9
Catalog: |
BB073016 |
Product Name: |
2-(3,5-dimethylphenyl)benzonitrile |
CAS: |
1355247-46-9 |
Synonyms: |
2-(3,5-dimethylphenyl)benzonitrile; 3',5'-Dimethyl[1,1'-biphenyl]-2-carbonitrile |
IUPAC Name: | 2-(3,5-dimethylphenyl)benzonitrile |
Description: | 2-(3,5-dimethylphenyl)benzonitrile |
Molecular Weight: | 207.27 |
Molecular Formula: | C15H13N |
Canonical SMILES: | CC1=CC(=CC(=C1)C2=CC=CC=C2C#N)C |
InChI: | InChI=1S/C15H13N/c1-11-7-12(2)9-14(8-11)15-6-4-3-5-13(15)10-16/h3-9H,1-2H3 |
InChI Key: | LMAKYIBNWIYCSV-UHFFFAOYSA-N |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.104799419 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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