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Home > Fluorides > 116763-88-3
116763-88-3 | Benzene, 1-(decyloxy)-4-ethynyl-2-fluoro-
CAS No: 116763-88-3 Catalog No: AG000D7F MDL No:
Product Description
Catalog Number:
AG000D7F
Chemical Name:
Benzene, 1-(decyloxy)-4-ethynyl-2-fluoro-
CAS Number:
116763-88-3
Molecular Formula:
C18H25FO
Molecular Weight:
276.3889
IUPAC Name:
1-decoxy-4-ethynyl-2-fluorobenzene
InChI:
InChI=1S/C18H25FO/c1-3-5-6-7-8-9-10-11-14-20-18-13-12-16(4-2)15-17(18)19/h2,12-13,15H,3,5-11,14H2,1H3
InChI Key:
ZDWOQUBTKDYIPN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1F)C#C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.395g/mol
Monoisotopic Mass:
276.189g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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