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Home > Fluorides > 127727-79-1
127727-79-1 | Benzene, 1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]-
CAS No: 127727-79-1 Catalog No: AG000XCY MDL No:
Product Description
Catalog Number:
AG000XCY
Chemical Name:
Benzene, 1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]-
CAS Number:
127727-79-1
Molecular Formula:
C16H13FO
Molecular Weight:
240.2722
IUPAC Name:
1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
InChI:
InChI=1S/C16H13FO/c1-2-18-16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h5-12H,2H2,1H3
InChI Key:
SPWWAWOPYSOPDE-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C#Cc1ccc(cc1)F
EC Number:
603-239-4
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.277g/mol
Monoisotopic Mass:
240.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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