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1422-36-2 | 3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-
CAS No: 1422-36-2 Catalog No: AG001HYG MDL No:MFCD09763630
Product Description
Catalog Number:
AG001HYG
Chemical Name:
3-Penten-2-one, 5,5,5-trifluoro-4-(trifluoromethyl)-
CAS Number:
1422-36-2
Molecular Formula:
C6H4F6O
Molecular Weight:
206.0858
MDL Number:
MFCD09763630
IUPAC Name:
5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-one
InChI:
InChI=1S/C6H4F6O/c1-3(13)2-4(5(7,8)9)6(10,11)12/h2H,1H3
InChI Key:
NXASNTUMEFAWRZ-UHFFFAOYSA-N
SMILES:
CC(=O)C=C(C(F)(F)F)C(F)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.087g/mol
Monoisotopic Mass:
206.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| A novel type of formation of zwitterionic compounds, containing two phosphorus atoms of opposite charge and different coordination number. | Chemical communications (Cambridge, England) 20020121 |
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