4-(3-Cyanophenyl)-2-fluorophenol - CAS 1261978-55-5
Catalog: |
BB068888 |
Product Name: |
4-(3-Cyanophenyl)-2-fluorophenol |
CAS: |
1261978-55-5 |
Synonyms: |
4-(3-CYANOPHENYL)-2-FLUOROPHENOL; 3-(3-fluoro-4-hydroxyphenyl)benzonitrile; 3'-Fluoro-4'-hydroxy[1,1'-biphenyl]-3-carbonitrile |
IUPAC Name: | 3-(3-fluoro-4-hydroxyphenyl)benzonitrile |
Description: | 4-(3-Cyanophenyl)-2-fluorophenol |
Molecular Weight: | 213.21 |
Molecular Formula: | C13H8FNO |
Canonical SMILES: | C1=CC(=CC(=C1)C2=CC(=C(C=C2)O)F)C#N |
InChI: | InChI=1S/C13H8FNO/c14-12-7-11(4-5-13(12)16)10-3-1-2-9(6-10)8-15/h1-7,16H |
InChI Key: | PTNAUPLYUSSPKH-UHFFFAOYSA-N |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.058992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.058992041 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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