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392-57-4 | 1,2,4,5-Tetrafluoro-3,6-diiodobenzene
CAS No: 392-57-4 Catalog No: AG003DOM MDL No:MFCD00001055
Product Description
Catalog Number:
AG003DOM
Chemical Name:
1,2,4,5-Tetrafluoro-3,6-diiodobenzene
CAS Number:
392-57-4
Molecular Formula:
C6F4I2
Molecular Weight:
401.8668
MDL Number:
MFCD00001055
IUPAC Name:
1,2,4,5-tetrafluoro-3,6-diiodobenzene
InChI:
InChI=1S/C6F4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChI Key:
VIXRAZODEODOJF-UHFFFAOYSA-N
SMILES:
Fc1c(I)c(F)c(c(c1F)I)F
EC Number:
206-877-8
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.803g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.869g/mol
Monoisotopic Mass:
401.803g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Quantifying homo- and heteromolecular hydrogen bonds as a guide for adduct formation. | Chemistry (Weinheim an der Bergstrasse, Germany) 20120529 |
| Cyclo-hexa-2,5-diene-1,4-dione-1,2,4,5-tetra-fluoro-3,6-diiodo-benzene (1/1). | Acta crystallographica. Section E, Structure reports online 20120501 |
| Energetic effects between halogen bonds and anion-π or lone pair-π interactions: a theoretical study. | The journal of physical chemistry. A 20120315 |
| Observation of a two-dimensional halogen-bonded cocrystal at sub-monolayer coverage using synchrotron X-ray diffraction. | Chemical communications (Cambridge, England) 20110307 |
| 1,2,4,5-Tetra-fluoro-3,6-diiodo-benzene-2,3-bis-(pyridin-2-yl)pyrazine (1/1). | Acta crystallographica. Section E, Structure reports online 20101101 |
| 1,2,4,5-Tetra-fluoro-3,6-diiodo-benzene-4-(pyridin-4-ylsulfan-yl)pyridine (1/1). | Acta crystallographica. Section E, Structure reports online 20101001 |
| Halogen bonding drives the self-assembly of piperazine cyclophanes into tubular structures. | Chemical communications (Cambridge, England) 20090428 |
| Halogen bonding between an isoindoline nitroxide and 1,4-diiodotetrafluorobenzene: new tools and tectons for self-assembling organic spin systems. | Chemistry (Weinheim an der Bergstrasse, Germany) 20090101 |
| Isostructural materials achieved by using structurally equivalent donors and acceptors in halogen-bonded cocrystals. | Chemistry (Weinheim an der Bergstrasse, Germany) 20080101 |
| Experimental electron density study of the supramolecular aggregation between 4,4'-dipyridyl-N,N'-dioxide and 1,4-diiodotetrafluorobenzene at 90 K. | Acta crystallographica. Section B, Structural science 20041001 |
| The experimental electron density distribution in the complex of (E)-1,2-bis(4-pyridyl)ethylene with 1,4-diiodotetrafluorobenzene at 90 K. | Chemistry (Weinheim an der Bergstrasse, Germany) 20030404 |
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