3-(2-Fluoro-5-methylphenyl)benzonitrile - CAS 1365272-20-3
Catalog: |
BB064956 |
Product Name: |
3-(2-Fluoro-5-methylphenyl)benzonitrile |
CAS: |
1365272-20-3 |
Synonyms: |
3-(2-Fluoro-5-methylphenyl)benzonitrile; 2'-Fluoro-5'-methyl[1,1'-biphenyl]-3-carbonitrile |
IUPAC Name: | 3-(2-fluoro-5-methylphenyl)benzonitrile |
Description: | 3-(2-Fluoro-5-methylphenyl)benzonitrile |
Molecular Weight: | 211.23 |
Molecular Formula: | C14H10FN |
Canonical SMILES: | CC1=CC(=C(C=C1)F)C2=CC=CC(=C2)C#N |
InChI: | InChI=1S/C14H10FN/c1-10-5-6-14(15)13(7-10)12-4-2-3-11(8-12)9-16/h2-8H,1H3 |
InChI Key: | PSKAKNXFJUEORD-UHFFFAOYSA-N |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.079727485 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.079727485 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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