4-[(3-Fluorophenyl)(hydroxy)methyl]benzonitrile - CAS 944648-35-5
Catalog: |
BB064731 |
Product Name: |
4-[(3-Fluorophenyl)(hydroxy)methyl]benzonitrile |
CAS: |
944648-35-5 |
Synonyms: |
4-[(3-Fluorophenyl)(hydroxy)methyl]benzonitrile; 4-((3-Fluorophenyl)(hydroxy)methyl)benzonitrile; 4-[(3-fluorophenyl)-hydroxymethyl]benzonitrile |
IUPAC Name: | 4-[(3-fluorophenyl)-hydroxymethyl]benzonitrile |
Description: | 4-[(3-Fluorophenyl)(hydroxy)methyl]benzonitrile |
Molecular Weight: | 227.23 |
Molecular Formula: | C14H10FNO |
Canonical SMILES: | C1=CC(=CC(=C1)F)C(C2=CC=C(C=C2)C#N)O |
InChI: | InChI=1S/C14H10FNO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-8,14,17H |
InChI Key: | OBZFKUCGZVOHJQ-UHFFFAOYSA-N |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.074642105 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.074642105 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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