4'-Cyano-4-fluoro-3-(trifluoromethyl)biphenyl - CAS 582293-64-9
Catalog: |
BB055692 |
Product Name: |
4'-Cyano-4-fluoro-3-(trifluoromethyl)biphenyl |
CAS: |
582293-64-9 |
Synonyms: |
4'-Cyano-4-fluoro-3-(trifluoromethyl)biphenyl; 4'-Fluoro-3'-trifluoromethyl-biphenyl-4-carbonitrile; 4-[4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]BENZONITRILE; 4'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbonitrile |
IUPAC Name: | 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzonitrile |
Description: | 4'-Cyano-4-fluoro-3-(trifluoromethyl)biphenyl |
Molecular Weight: | 265.21 |
Molecular Formula: | C14H7F4N |
Canonical SMILES: | C1=CC(=CC=C1C#N)C2=CC(=C(C=C2)F)C(F)(F)F |
InChI: | InChI=1S/C14H7F4N/c15-13-6-5-11(7-12(13)14(16,17)18)10-3-1-9(8-19)2-4-10/h1-7H |
InChI Key: | VTLQKXOLILACPF-UHFFFAOYSA-N |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.05146188 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.05146188 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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