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2340-93-4 | Benzene, 1,2,3,4,5,6-hexakis(trifluoromethyl)-
CAS No: 2340-93-4 Catalog No: AG002N3P MDL No:
Product Description
Catalog Number:
AG002N3P
Chemical Name:
Benzene, 1,2,3,4,5,6-hexakis(trifluoromethyl)-
CAS Number:
2340-93-4
Molecular Formula:
C12F18
Molecular Weight:
486.0997
IUPAC Name:
1,2,3,4,5,6-hexakis(trifluoromethyl)benzene
InChI:
InChI=1S/C12F18/c13-7(14,15)1-2(8(16,17)18)4(10(22,23)24)6(12(28,29)30)5(11(25,26)27)3(1)9(19,20)21
InChI Key:
XJGMLRCIWIZTKI-UHFFFAOYSA-N
SMILES:
FC(c1c(c(c(c(c1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F
NSC Number:
60318
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.971g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.103g/mol
Monoisotopic Mass:
485.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
Literature
| Title | Journal |
|---|---|
| Pentakis(trifluoromethyl)phenyl, a sterically crowded and electron-withdrawing group: synthesis and acidity of pentakis(trifluoromethyl)benzene, -toluene, -phenol, and -aniline. | The Journal of organic chemistry 20080404 |
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