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Home > Fluorides > 123560-56-5
123560-56-5 | Benzene, 1-ethoxy-2,3-difluoro-4-[2-(4-pentylphenyl)ethynyl]-
CAS No: 123560-56-5 Catalog No: AG000KSP MDL No:
Product Description
Catalog Number:
AG000KSP
Chemical Name:
Benzene, 1-ethoxy-2,3-difluoro-4-[2-(4-pentylphenyl)ethynyl]-
CAS Number:
123560-56-5
Molecular Formula:
C21H22F2O
Molecular Weight:
328.3956
IUPAC Name:
1-ethoxy-2,3-difluoro-4-[2-(4-pentylphenyl)ethynyl]benzene
InChI:
InChI=1S/C21H22F2O/c1-3-5-6-7-16-8-10-17(11-9-16)12-13-18-14-15-19(24-4-2)21(23)20(18)22/h8-11,14-15H,3-7H2,1-2H3
InChI Key:
PIRBSQJCLKEHQD-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C#Cc1ccc(c(c1F)F)OCC
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.164g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.403g/mol
Monoisotopic Mass:
328.164g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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