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Home > Fluorides > 797048-44-3
797048-44-3 | Benzene, 5-[[4-(1E)-1-butenyl-2,6-difluorophenyl]ethynyl]-1,2,3-trifluoro-
CAS No: 797048-44-3 Catalog No: AG005ILZ MDL No:
Product Description
Catalog Number:
AG005ILZ
Chemical Name:
Benzene, 5-[[4-(1E)-1-butenyl-2,6-difluorophenyl]ethynyl]-1,2,3-trifluoro-
CAS Number:
797048-44-3
Molecular Formula:
C18H11F5
Molecular Weight:
322.2720
IUPAC Name:
5-but-1-enyl-1,3-difluoro-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene
InChI:
InChI=1S/C18H11F5/c1-2-3-4-11-7-14(19)13(15(20)8-11)6-5-12-9-16(21)18(23)17(22)10-12/h3-4,7-10H,2H2,1H3
InChI Key:
AOAFSIWSYVLRJK-UHFFFAOYSA-N
SMILES:
CC/C=C/c1cc(F)c(c(c1)F)C#Cc1cc(F)c(c(c1)F)F
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.078g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.278g/mol
Monoisotopic Mass:
322.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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