2-(3,5-Difluorophenyl)benzonitrile - CAS 717101-37-6
Catalog: |
BB067599 |
Product Name: |
2-(3,5-Difluorophenyl)benzonitrile |
CAS: |
717101-37-6 |
Synonyms: |
2-(3,5-Difluorophenyl)benzonitrile; 3',5'-Difluoro[1,1'-biphenyl]-2-carbonitrile |
IUPAC Name: | 2-(3,5-difluorophenyl)benzonitrile |
Description: | 2-(3,5-Difluorophenyl)benzonitrile |
Molecular Weight: | 215.2 |
Molecular Formula: | C13H7F2N |
Canonical SMILES: | C1=CC=C(C(=C1)C#N)C2=CC(=CC(=C2)F)F |
InChI: | InChI=1S/C13H7F2N/c14-11-5-10(6-12(15)7-11)13-4-2-1-3-9(13)8-16/h1-7H |
InChI Key: | AQCYAMXHSJNFME-UHFFFAOYSA-N |
Complexity: | 273 |
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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