4-(3,5-Difluorophenyl)benzonitrile - CAS 1365272-12-3
Catalog: |
BB067589 |
Product Name: |
4-(3,5-Difluorophenyl)benzonitrile |
CAS: |
1365272-12-3 |
Synonyms: |
4-(3,5-Difluorophenyl)benzonitrile; 3',5'-Difluoro-1,1'-biphenyl-4-carbonitrile; 3',5'-Difluoro[1,1'-biphenyl]-4-carbonitrile; [1,1'-Biphenyl]-4-carbonitrile, 3',5'-difluoro- |
IUPAC Name: | 4-(3,5-difluorophenyl)benzonitrile |
Description: | 4-(3,5-Difluorophenyl)benzonitrile |
Molecular Weight: | 215.2 |
Molecular Formula: | C13H7F2N |
Canonical SMILES: | C1=CC(=CC=C1C#N)C2=CC(=CC(=C2)F)F |
InChI: | InChI=1S/C13H7F2N/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-7H |
InChI Key: | SUJHUDVODJQZHR-UHFFFAOYSA-N |
Complexity: | 265 |
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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