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Home > Fluorides > 119757-51-6
119757-51-6 | Benzene, 1,1'-(1,2-ethynediyl)bis[4-(trifluoromethyl)-
CAS No: 119757-51-6 Catalog No: AG000PLI MDL No:
Product Description
Catalog Number:
AG000PLI
Chemical Name:
Benzene, 1,1'-(1,2-ethynediyl)bis[4-(trifluoromethyl)-
CAS Number:
119757-51-6
Molecular Formula:
C16H8F6
Molecular Weight:
314.2251
IUPAC Name:
1-(trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene
InChI:
InChI=1S/C16H8F6/c17-15(18,19)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(20,21)22/h3-10H
InChI Key:
FRYNVLNXFPVXQT-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)C#Cc1ccc(cc1)C(F)(F)F)(F)F
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.053g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.23g/mol
Monoisotopic Mass:
314.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Borylene-based direct functionalization of organic substrates: synthesis, characterization, and photophysical properties of novel pi-conjugated borirenes. | Journal of the American Chemical Society 20090701 |
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