2-(3-Methoxyphenyl)benzonitrile - CAS 154848-36-9
Catalog: |
BB076123 |
Product Name: |
2-(3-Methoxyphenyl)benzonitrile |
CAS: |
154848-36-9 |
Synonyms: |
3'-Methoxy-[1,1'-biphenyl]-2-carbonitrile; 2-(3-Methoxyphenyl)benzonitrile; 3'-Methoxy[1,1'-biphenyl]-2-carbonitrile |
IUPAC Name: | 2-(3-methoxyphenyl)benzonitrile |
Description: | 2-(3-Methoxyphenyl)benzonitrile |
Molecular Weight: | 209.24 |
Molecular Formula: | C14H11NO |
Canonical SMILES: | COC1=CC=CC(=C1)C2=CC=CC=C2C#N |
InChI: | InChI=1S/C14H11NO/c1-16-13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-15/h2-9H,1H3 |
InChI Key: | AVHMBEWBXCSBHX-UHFFFAOYSA-N |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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