3-Ethyl-4-fluorobenzonitrile - CAS 869299-63-8
Catalog: |
BB038125 |
Product Name: |
3-Ethyl-4-fluorobenzonitrile |
CAS: |
869299-63-8 |
Synonyms: |
3-ethyl-4-fluorobenzonitrile; 3-ethyl-4-fluorobenzonitrile |
IUPAC Name: | 3-ethyl-4-fluorobenzonitrile |
Description: | 3-Ethyl-4-fluorobenzonitrile (CAS# 869299-63-8) is a useful research chemical. |
Molecular Weight: | 149.16 |
Molecular Formula: | C9H8FN |
Canonical SMILES: | CCC1=C(C=CC(=C1)C#N)F |
InChI: | InChI=1S/C9H8FN/c1-2-8-5-7(6-11)3-4-9(8)10/h3-5H,2H2,1H3 |
InChI Key: | RFLBKVBNVUDWDP-UHFFFAOYSA-N |
LogP: | 2.25978 |
Publication Number | Title | Priority Date |
CN-108976150-A | A kind of preparation method of 3- ethyl -4- fluorobenzonitrile | 20170605 |
CN-108623496-A | The preparation method of 3- ethyl -4- fluorobenzonitriles | 20170322 |
US-2020197408-A1 | Oxadiazepinone derivatives and methods of treating hepatitis b infections | 20160629 |
US-10987359-B2 | Oxadiazepinone derivatives and methods of treating hepatitis B infections | 20160629 |
US-2017267685-A1 | Heteroaryl compounds and uses thereof | 20130315 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.064077422 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.064077422 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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