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Home > Fluorides > 155905-85-4
155905-85-4 | Benzene, 2-fluoro-4-[2-(4-pentylphenyl)ethynyl]-1-[2-(4-propylphenyl)ethynyl]-
CAS No: 155905-85-4 Catalog No: AG001OC9 MDL No:
Product Description
Catalog Number:
AG001OC9
Chemical Name:
Benzene, 2-fluoro-4-[2-(4-pentylphenyl)ethynyl]-1-[2-(4-propylphenyl)ethynyl]-
CAS Number:
155905-85-4
Molecular Formula:
C30H29F
Molecular Weight:
408.5497
IUPAC Name:
2-fluoro-4-[2-(4-pentylphenyl)ethynyl]-1-[2-(4-propylphenyl)ethynyl]benzene
InChI:
InChI=1S/C30H29F/c1-3-5-6-8-25-11-15-26(16-12-25)17-18-28-20-22-29(30(31)23-28)21-19-27-13-9-24(7-4-2)10-14-27/h9-16,20,22-23H,3-8H2,1-2H3
InChI Key:
VCMBTTBNHYKBSD-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C#Cc1ccc(c(c1)F)C#Cc1ccc(cc1)CCC
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.225g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.56g/mol
Monoisotopic Mass:
408.225g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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