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Home > Fluorides > 155905-83-2
155905-83-2 | Benzene, 2-fluoro-1,4-bis[2-(4-pentylphenyl)ethynyl]-
CAS No: 155905-83-2 Catalog No: AG001OCA MDL No:
Product Description
Catalog Number:
AG001OCA
Chemical Name:
Benzene, 2-fluoro-1,4-bis[2-(4-pentylphenyl)ethynyl]-
CAS Number:
155905-83-2
Molecular Formula:
C32H33F
Molecular Weight:
436.6028
IUPAC Name:
2-fluoro-1,4-bis[2-(4-pentylphenyl)ethynyl]benzene
InChI:
InChI=1S/C32H33F/c1-3-5-7-9-26-11-15-28(16-12-26)19-20-30-22-24-31(32(33)25-30)23-21-29-17-13-27(14-18-29)10-8-6-4-2/h11-18,22,24-25H,3-10H2,1-2H3
InChI Key:
HINCWNIIGSFIBU-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C#Cc1ccc(c(c1)F)C#Cc1ccc(cc1)CCCCC
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.257g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.614g/mol
Monoisotopic Mass:
436.257g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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