4-Fluoro-3-(hydroxymethyl)benzonitrile - CAS 856931-47-0
Catalog: |
BB065031 |
Product Name: |
4-Fluoro-3-(hydroxymethyl)benzonitrile |
CAS: |
856931-47-0 |
Synonyms: |
4-Fluoro-3-(Hydroxymethyl)Benzonitrile; 4-fluoro-3-hydroxymethyl-benzonitrile; 5-Cyano-2-fluorobenzyl alcohol |
IUPAC Name: | 4-fluoro-3-(hydroxymethyl)benzonitrile |
Description: | 4-Fluoro-3-(hydroxymethyl)benzonitrile |
Molecular Weight: | 151.14 |
Molecular Formula: | C8H6FNO |
Canonical SMILES: | C1=CC(=C(C=C1C#N)CO)F |
InChI: | InChI=1S/C8H6FNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,11H,5H2 |
InChI Key: | XNUXONXEQMBVLJ-UHFFFAOYSA-N |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.043341977 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.043341977 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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