2-Fluoro-4-(3-fluorophenyl)benzonitrile - CAS 1214356-07-6
Catalog: |
BB065194 |
Product Name: |
2-Fluoro-4-(3-fluorophenyl)benzonitrile |
CAS: |
1214356-07-6 |
Synonyms: |
2-Fluoro-4-(3-fluorophenyl)benzonitrile; 3,3'-Difluoro-[1,1'-biphenyl]-4-carbonitrile; 3',3-Difluorobiphenyl-4-carbonitrile |
IUPAC Name: | 2-fluoro-4-(3-fluorophenyl)benzonitrile |
Description: | 2-Fluoro-4-(3-fluorophenyl)benzonitrile |
Molecular Weight: | 215.2 |
Molecular Formula: | C13H7F2N |
Canonical SMILES: | C1=CC(=CC(=C1)F)C2=CC(=C(C=C2)C#N)F |
InChI: | InChI=1S/C13H7F2N/c14-12-3-1-2-9(6-12)10-4-5-11(8-16)13(15)7-10/h1-7H |
InChI Key: | KYACUYUBQSBPPB-UHFFFAOYSA-N |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.05465555 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.05465555 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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