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Home > Fluorides > 812640-67-8
812640-67-8 | Benzene, pentafluoro[(4-iodophenyl)ethynyl]-
CAS No: 812640-67-8 Catalog No: AG004YR0 MDL No:
Product Description
Catalog Number:
AG004YR0
Chemical Name:
Benzene, pentafluoro[(4-iodophenyl)ethynyl]-
CAS Number:
812640-67-8
Molecular Formula:
C14H4F5I
Molecular Weight:
394.0780
IUPAC Name:
1,2,3,4,5-pentafluoro-6-[2-(4-iodophenyl)ethynyl]benzene
InChI:
InChI=1S/C14H4F5I/c15-10-9(11(16)13(18)14(19)12(10)17)6-3-7-1-4-8(20)5-2-7/h1-2,4-5H
InChI Key:
VOEVCXNTASXHLP-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C#Cc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.928g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.082g/mol
Monoisotopic Mass:
393.928g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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