4-(3-Fluoro-4-methylphenyl)benzonitrile - CAS 1352318-56-9
Catalog: |
BB064953 |
Product Name: |
4-(3-Fluoro-4-methylphenyl)benzonitrile |
CAS: |
1352318-56-9 |
Synonyms: |
4-(3-Fluoro-4-methylphenyl)benzonitrile; 3'-Fluoro-4'-methyl[1,1'-biphenyl]-4-carbonitrile |
IUPAC Name: | 4-(3-fluoro-4-methylphenyl)benzonitrile |
Description: | 4-(3-Fluoro-4-methylphenyl)benzonitrile |
Molecular Weight: | 211.23 |
Molecular Formula: | C14H10FN |
Canonical SMILES: | CC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)F |
InChI: | InChI=1S/C14H10FN/c1-10-2-5-13(8-14(10)15)12-6-3-11(9-16)4-7-12/h2-8H,1H3 |
InChI Key: | YAECPXFOMDFTCQ-UHFFFAOYSA-N |
Complexity: | 272 |
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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