2-(2-Cyano-3-fluorophenyl)-6-fluorobenzonitrile - CAS 1400644-44-1
Catalog: |
BB068993 |
Product Name: |
2-(2-Cyano-3-fluorophenyl)-6-fluorobenzonitrile |
CAS: |
1400644-44-1 |
Synonyms: |
2-(2-CYANO-3-FLUOROPHENYL)-6-FLUOROBENZONITRILE; 3,3'-Difluoro[1,1'-biphenyl]-2,2'-dicarbonitrile; 3,3'-DIFLUORO-[1,1'-BIPHENYL]-2,2'-DICARBONITRILE |
IUPAC Name: | 2-(2-cyano-3-fluorophenyl)-6-fluorobenzonitrile |
Description: | 2-(2-Cyano-3-fluorophenyl)-6-fluorobenzonitrile |
Molecular Weight: | 240.21 |
Molecular Formula: | C14H6F2N2 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)C#N)C2=C(C(=CC=C2)F)C#N |
InChI: | InChI=1S/C14H6F2N2/c15-13-5-1-3-9(11(13)7-17)10-4-2-6-14(16)12(10)8-18/h1-6H |
InChI Key: | UWYORGVIWRFKAS-UHFFFAOYSA-N |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.04990452 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.04990452 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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