3'-Methyl-[1,1'-biphenyl]-2-carbonitrile - CAS 153959-55-8
Catalog: |
BB060430 |
Product Name: |
3'-Methyl-[1,1'-biphenyl]-2-carbonitrile |
CAS: |
153959-55-8 |
Synonyms: |
Sartanbiphenrl |
IUPAC Name: | 2-(3-methylphenyl)benzonitrile |
Description: | 3'-Methyl-[1,1'-biphenyl]-2-carbonitrile is a useful intermediate in the synthesis of biaryls. |
Molecular Weight: | 193.24 |
Molecular Formula: | C14H11N |
Canonical SMILES: | CC1=CC(=CC=C1)C2=CC=CC=C2C#N |
InChI: | InChI=1S/C14H11N/c1-11-5-4-7-12(9-11)14-8-3-2-6-13(14)10-15/h2-9H,1H3 |
InChI Key: | BITRDALNSYHNBR-UHFFFAOYSA-N |
References: | Black, D. A., et al. Science of Synthesis, 45b, 547 (2010). |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.089149355 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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