3-(4-Fluorophenoxy)propionitrile - CAS 85169-02-4
Catalog: |
BB037520 |
Product Name: |
3-(4-Fluorophenoxy)propionitrile |
CAS: |
85169-02-4 |
Synonyms: |
3-(4-fluorophenoxy)propanenitrile |
IUPAC Name: | 3-(4-fluorophenoxy)propanenitrile |
Description: | 3-(4-Fluorophenoxy)propionitrile (CAS# 85169-02-4) is a useful research chemical. |
Molecular Weight: | 165.16 |
Molecular Formula: | C9H8FNO |
Canonical SMILES: | C1=CC(=CC=C1OCCC#N)F |
InChI: | InChI=1S/C9H8FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2 |
InChI Key: | MSQBUHCLFYFIGC-UHFFFAOYSA-N |
Boiling Point: | 274 ℃ (lit.) |
Density: | 1.165 g/mL at 25℃(lit.) |
MDL: | MFCD01569391 |
LogP: | 2.11818 |
Publication Number | Title | Priority Date |
US-10696663-B2 | Chromene derivatives as inhibitors of TCR-NCK interaction | 20180227 |
US-2019263792-A1 | Chromene derivatives as inhibitors of tcr-nck interaction | 20180227 |
WO-2019169001-A1 | Chromene derivatives as inhibitors of tcr-nck interaction | 20180227 |
AU-2019229258-A1 | Chromene derivatives as inhibitors of TCR-Nck interaction | 20180227 |
KR-20200140262-A | Chromene derivatives as inhibitors of TCR-NCK interactions | 20180227 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.058992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.058992041 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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