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Home > Fluorides > 141112-94-9
141112-94-9 | Thiophene, 2-[3-fluoro-4-(hexyloxy)phenyl]-5-(4-hexylphenyl)-
CAS No: 141112-94-9 Catalog No: AG001FY0 MDL No:
Product Description
Catalog Number:
AG001FY0
Chemical Name:
Thiophene, 2-[3-fluoro-4-(hexyloxy)phenyl]-5-(4-hexylphenyl)-
CAS Number:
141112-94-9
Molecular Formula:
C28H35FOS
Molecular Weight:
438.6403
IUPAC Name:
2-(3-fluoro-4-hexoxyphenyl)-5-(4-hexylphenyl)thiophene
InChI:
InChI=1S/C28H35FOS/c1-3-5-7-9-11-22-12-14-23(15-13-22)27-18-19-28(31-27)24-16-17-26(25(29)21-24)30-20-10-8-6-4-2/h12-19,21H,3-11,20H2,1-2H3
InChI Key:
YOXWIRZJZSAWFW-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1F)c1ccc(s1)c1ccc(cc1)CCCCCC
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.239g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.645g/mol
Monoisotopic Mass:
438.239g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3
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